Course Information

C7410 Structure and Reactivity

Extent and Intensity

2/0/0. 2 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: zk (examination). Other types of completion: k (colloquium).
In-person direct teaching

Teacher(s)

prof. RNDr. Petr Klán, Ph.D. (lecturer)

Guaranteed by

prof. RNDr. Petr Klán, Ph.D.
Department of Chemistry – Chemistry Section – Faculty of Science
Contact Person: prof. RNDr. Petr Klán, Ph.D.
Supplier department: Department of Chemistry – Chemistry Section – Faculty of Science

Timetable

Mon 10:00–11:50 A08/309

Prerequisites

(( C1020 General Chemistry && C2021 Organic Chemistry I &&( C3022 Organic Chemistry II/1 || C3050 Organic Chemistry II )&&( C4660 Physical Chemistry I || C3140 Physical Chemistry I || C3401 Physical Chemistry I )&&( C4020 Physical Chemistry II || C4402 Physical Chemistry II ))&&NOW( C7415 Structure and Reactivity-sem. ))||SOUHLAS
organic chemistry, physical chemistry, physics

Course Enrolment Limitations

The course is also offered to the students of the fields other than those the course is directly associated with.

fields of study / plans the course is directly associated with

there are 13 fields of study the course is directly associated with, display

Course objectives

Students will learn to understand the relationship between the structure of organic compounds and their chemical reactivity.

Learning outcomes

Knowledge of different ways of chemical activation and study methods of the reaction mechanisms will help the student to understand the scientific literature in the corresponding field and interpret the results from the experimental and theoretical studies.

Syllabus

• 1. Basic Concepts. Dimension, time, rate and energy in chemistry. Chemical bond. The structure and bond deformation. Physical properties of compounds. Substituent effects. Tools to determine the chemical structures. 2. Molecular Orbitals and Reactivity. Construction of molecular orbitals. Hückel approximation. Correlation diagrams. Salem-Klopman equation. 3. Stability of Molecules. Thermochemical calculations. Conformation of acyclic and cyclic hydrocarbons and their derivatives. Torsion and stereoelectronic effects. Hyperconjugation. Anomeric effect. 4. Aromaticity. Aromaticity. Antiaromaticity. Homoaromaticity. Aromatic ions and dipoles. Polycyclic aromatic compounds. 5. Noncovalent Interactions and Solvation. Chemistry and phases. Solvent effects. Hughes-Ingold model. Hydrogen bonding. Halogen bonding. π-Interaction. Hydrophobic effect. CT interaction. Molecular recognition. 6. Acids and Bases. Acid-base equilibria in different solvents and phases. Acidity function. Substituent effects and strengths of Brønsted acids and bases. Kinetic acidity. 7. Chemical Reactivity. Hard and soft acids, bases, nucleophiles and electrophiles (HSAB theory). Rate constants and transition state. Activation and driving force of reactions. Activation enthalpy and entropy. Kinetics. Hammond postulate. Bell-Evans-Polanyi principle. O'Ferrall-Jencks diagrams. Curtin-Hammett principle. 8. Thermodynamics and Kinetics as the Tools to Study Mechanisms. Linear free energy relationship (LFER): Hammett equation. Taft equation. QSAR. Kinetic isotope effects. 9. Catalysis. Thermodynamic cycle. Specific and general acid-base catalysis. Brønsted coefficients. 10. Photochemistry. Electronic excitation. Photophysical and photochemical processes. Jablonski diagram. Energy transfer. Stern-Volmer analysis. Tools to study photochemical processes. 11. Electron Transfer. Ionization potential, electron affinity and CT complexes. Marcus theory. Electron transfer in SN2 reactions. 12. Non-Classical Activation of Chemical Reactions. Spin chemistry. Magnetic field effect. Magnetic isotope effect. Microwave chemistry. Sonochemistry. Mechanochemistry. Radiation chemistry. Plasma chemistry.

Literature

required literature
• ANSLYN, Eric V. and Dennis A. DOUGHERTY. Modern physical organic chemistry. Sausalito, Calif.: University Science Books, 2006, xxviii, 10. ISBN 1891389319. info

recommended literature
• FLEMING, Ian. Molecular orbitals and organic chemical reactions. Reference edition. Chichester: John Wiley & Sons, 2010, xii, 515. ISBN 9780470746585. info

Teaching methods

Lectures.

Assessment methods

One written final test (50% of correct answers is needed to pass) + the oral exam.

Language of instruction

English

Follow-Up Courses

• C1020 General Chemistry
• C2021 Organic Chemistry I
• C3022 Organic Chemistry II/1
• C3140 Physical Chemistry I
• C4020 Physical Chemistry II

Further Comments

Study Materials
The course can also be completed outside the examination period.
The course is taught annually.

Listed among pre-requisites of other courses

• C4450 Organic Chemistry III - synthesis
  (C3022||C3050)&&C5500&&C7410  
• C7415 Structure and Reactivity - seminar
  NOW(C7410)  
• C8500 Mechanisms of Organic Reactions
  C7410&&NOW(C8510)  
• C8510 Mechanisms of Organic Reactions - seminar
  C7410&&NOW(C8500)  

C7410 Structure and Reactivity

Extent and Intensity

2/0/0. 2 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: zk (examination). Other types of completion: k (colloquium).

Teacher(s)

prof. RNDr. Petr Klán, Ph.D. (lecturer)

Guaranteed by

prof. RNDr. Petr Klán, Ph.D.
Department of Chemistry – Chemistry Section – Faculty of Science
Contact Person: prof. RNDr. Petr Klán, Ph.D.
Supplier department: Department of Chemistry – Chemistry Section – Faculty of Science

Timetable

Mon 10:00–11:50 A08/309

Prerequisites

(( C1020 General Chemistry && C2021 Organic Chemistry I &&( C3022 Organic Chemistry II/1 || C3050 Organic Chemistry II )&&( C4660 Physical Chemistry I || C3140 Physical Chemistry I || C3401 Physical Chemistry I )&&( C4020 Physical Chemistry II || C4402 Physical Chemistry II ))&&NOW( C7415 Structure and Reactivity-sem. ))||SOUHLAS
organic chemistry, physical chemistry, physics

Course Enrolment Limitations

The course is also offered to the students of the fields other than those the course is directly associated with.

fields of study / plans the course is directly associated with

there are 13 fields of study the course is directly associated with, display

Course objectives

Students will learn to understand the relationship between the structure of organic compounds and their chemical reactivity.

Learning outcomes

Knowledge of different ways of chemical activation and study methods of the reaction mechanisms will help the student to understand the scientific literature in the corresponding field and interpret the results from the experimental and theoretical studies.

Syllabus

• 1. Basic Concepts. Dimension, time, rate and energy in chemistry. Chemical bond. The structure and bond deformation. Physical properties of compounds. Substituent effects. Tools to determine the chemical structures. 2. Molecular Orbitals and Reactivity. Construction of molecular orbitals. Hückel approximation. Correlation diagrams. Salem-Klopman equation. 3. Stability of Molecules. Thermochemical calculations. Conformation of acyclic and cyclic hydrocarbons and their derivatives. Torsion and stereoelectronic effects. Hyperconjugation. Anomeric effect. 4. Aromaticity. Aromaticity. Antiaromaticity. Homoaromaticity. Aromatic ions and dipoles. Polycyclic aromatic compounds. 5. Noncovalent Interactions and Solvation. Chemistry and phases. Solvent effects. Hughes-Ingold model. Hydrogen bonding. Halogen bonding. π-Interaction. Hydrophobic effect. CT interaction. Molecular recognition. 6. Acids and Bases. Acid-base equilibria in different solvents and phases. Acidity function. Substituent effects and strengths of Brønsted acids and bases. Kinetic acidity. 7. Chemical Reactivity. Hard and soft acids, bases, nucleophiles and electrophiles (HSAB theory). Rate constants and transition state. Activation and driving force of reactions. Activation enthalpy and entropy. Kinetics. Hammond postulate. Bell-Evans-Polanyi principle. O'Ferrall-Jencks diagrams. Curtin-Hammett principle. 8. Thermodynamics and Kinetics as the Tools to Study Mechanisms. Linear free energy relationship (LFER): Hammett equation. Taft equation. QSAR. Kinetic isotope effects. 9. Catalysis. Thermodynamic cycle. Specific and general acid-base catalysis. Brønsted coefficients. 10. Photochemistry. Electronic excitation. Photophysical and photochemical processes. Jablonski diagram. Energy transfer. Stern-Volmer analysis. Tools to study photochemical processes. 11. Electron Transfer. Ionization potential, electron affinity and CT complexes. Marcus theory. Electron transfer in SN2 reactions. 12. Non-Classical Activation of Chemical Reactions. Spin chemistry. Magnetic field effect. Magnetic isotope effect. Microwave chemistry. Sonochemistry. Mechanochemistry. Radiation chemistry. Plasma chemistry.

Literature

required literature
• ANSLYN, Eric V. and Dennis A. DOUGHERTY. Modern physical organic chemistry. Sausalito, Calif.: University Science Books, 2006, xxviii, 10. ISBN 1891389319. info

recommended literature
• FLEMING, Ian. Molecular orbitals and organic chemical reactions. Reference edition. Chichester: John Wiley & Sons, 2010, xii, 515. ISBN 9780470746585. info

Teaching methods

Lectures.

Assessment methods

One written final test (50% of correct answers is needed to pass) + the oral exam.

Language of instruction

English

Follow-Up Courses

• C1020 General Chemistry
• C2021 Organic Chemistry I
• C3022 Organic Chemistry II/1
• C3140 Physical Chemistry I
• C4020 Physical Chemistry II

Further Comments

Study Materials
The course can also be completed outside the examination period.
The course is taught annually.

Listed among pre-requisites of other courses

• C4450 Organic Chemistry III - synthesis
  (C3022||C3050)&&C5500&&C7410  
• C7415 Structure and Reactivity - seminar
  NOW(C7410)  
• C8500 Mechanisms of Organic Reactions
  C7410&&NOW(C8510)  
• C8510 Mechanisms of Organic Reactions - seminar
  C7410&&NOW(C8500)  

C7410 Structure and Reactivity

Extent and Intensity

2/0/0. 2 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: zk (examination). Other types of completion: k (colloquium).

Teacher(s)

prof. RNDr. Petr Klán, Ph.D. (lecturer)

Guaranteed by

prof. RNDr. Petr Klán, Ph.D.
Department of Chemistry – Chemistry Section – Faculty of Science
Contact Person: prof. RNDr. Petr Klán, Ph.D.
Supplier department: Department of Chemistry – Chemistry Section – Faculty of Science

Timetable

Mon 10:00–11:50 A08/309

Prerequisites

(( C1020 General Chemistry && C2021 Organic Chemistry I &&( C3022 Organic Chemistry II/1 || C3050 Organic Chemistry II )&&( C4660 Physical Chemistry I || C3140 Physical Chemistry I || C3401 Physical Chemistry I )&&( C4020 Physical Chemistry II || C4402 Physical Chemistry II ))&&NOW( C7415 Structure and Reactivity-sem. ))||SOUHLAS
organic chemistry, physical chemistry, physics

Course Enrolment Limitations

The course is also offered to the students of the fields other than those the course is directly associated with.

fields of study / plans the course is directly associated with

there are 13 fields of study the course is directly associated with, display

Course objectives

Students will learn to understand the relationship between the structure of organic compounds and their chemical reactivity.

Learning outcomes

Knowledge of different ways of chemical activation and study methods of the reaction mechanisms will help the student to understand the scientific literature in the corresponding field and interpret the results from the experimental and theoretical studies.

Syllabus

• 1. Basic Concepts. Dimension, time, rate and energy in chemistry. Chemical bond. The structure and bond deformation. Physical properties of compounds. Substituent effects. Tools to determine the chemical structures. 2. Molecular Orbitals and Reactivity. Construction of molecular orbitals. Hückel approximation. Correlation diagrams. Salem-Klopman equation. 3. Stability of Molecules. Thermochemical calculations. Conformation of acyclic and cyclic hydrocarbons and their derivatives. Torsion and stereoelectronic effects. Hyperconjugation. Anomeric effect. 4. Aromaticity. Aromaticity. Antiaromaticity. Homoaromaticity. Aromatic ions and dipoles. Polycyclic aromatic compounds. 5. Noncovalent Interactions and Solvation. Chemistry and phases. Solvent effects. Hughes-Ingold model. Hydrogen bonding. Halogen bonding. π-Interaction. Hydrophobic effect. CT interaction. Molecular recognition. 6. Acids and Bases. Acid-base equilibria in different solvents and phases. Acidity function. Substituent effects and strengths of Brønsted acids and bases. Kinetic acidity. 7. Chemical Reactivity. Hard and soft acids, bases, nucleophiles and electrophiles (HSAB theory). Rate constants and transition state. Activation and driving force of reactions. Activation enthalpy and entropy. Kinetics. Hammond postulate. Bell-Evans-Polanyi principle. O'Ferrall-Jencks diagrams. Curtin-Hammett principle. 8. Thermodynamics and Kinetics as the Tools to Study Mechanisms. Linear free energy relationship (LFER): Hammett equation. Taft equation. QSAR. Kinetic isotope effects. 9. Catalysis. Thermodynamic cycle. Specific and general acid-base catalysis. Brønsted coefficients. 10. Photochemistry. Electronic excitation. Photophysical and photochemical processes. Jablonski diagram. Energy transfer. Stern-Volmer analysis. Tools to study photochemical processes. 11. Electron Transfer. Ionization potential, electron affinity and CT complexes. Marcus theory. Electron transfer in SN2 reactions. 12. Non-Classical Activation of Chemical Reactions. Spin chemistry. Magnetic field effect. Magnetic isotope effect. Microwave chemistry. Sonochemistry. Mechanochemistry. Radiation chemistry. Plasma chemistry.

Literature

required literature
• ANSLYN, Eric V. and Dennis A. DOUGHERTY. Modern physical organic chemistry. Sausalito, Calif.: University Science Books, 2006, xxviii, 10. ISBN 1891389319. info

recommended literature
• FLEMING, Ian. Molecular orbitals and organic chemical reactions. Reference edition. Chichester: John Wiley & Sons, 2010, xii, 515. ISBN 9780470746585. info

Teaching methods

Lectures.

Assessment methods

One written final test (50% of correct answers is needed to pass) + the oral exam.

Language of instruction

English

Follow-Up Courses

• C1020 General Chemistry
• C2021 Organic Chemistry I
• C3022 Organic Chemistry II/1
• C3140 Physical Chemistry I
• C4020 Physical Chemistry II

Further Comments

Study Materials
The course can also be completed outside the examination period.
The course is taught annually.

Listed among pre-requisites of other courses

• C4450 Organic Chemistry III - synthesis
  (C3022||C3050)&&C5500&&C7410  
• C7415 Structure and Reactivity - seminar
  NOW(C7410)  
• C8500 Mechanisms of Organic Reactions
  C7410&&NOW(C8510)  
• C8510 Mechanisms of Organic Reactions - seminar
  C7410&&NOW(C8500)  

C7410 Structure and Reactivity

Extent and Intensity

2/0/0. 2 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: zk (examination). Other types of completion: k (colloquium).

Teacher(s)

prof. RNDr. Petr Klán, Ph.D. (lecturer)

Guaranteed by

prof. RNDr. Petr Klán, Ph.D.
Department of Chemistry – Chemistry Section – Faculty of Science
Contact Person: prof. RNDr. Petr Klán, Ph.D.
Supplier department: Department of Chemistry – Chemistry Section – Faculty of Science

Timetable

Mon 10:00–11:50 A08/309

Prerequisites

(( C1020 General Chemistry && C2021 Organic Chemistry I &&( C3022 Organic Chemistry II/1 || C3050 Organic Chemistry II )&&( C4660 Physical Chemistry I || C3140 Physical Chemistry I || C3401 Physical Chemistry I )&&( C4020 Physical Chemistry II || C4402 Physical Chemistry II ))&&NOW( C7415 Structure and Reactivity-sem. ))||SOUHLAS
organic chemistry, physical chemistry, physics

Course Enrolment Limitations

The course is also offered to the students of the fields other than those the course is directly associated with.

fields of study / plans the course is directly associated with

there are 13 fields of study the course is directly associated with, display

Course objectives

Students will learn to understand the relationship between the structure of organic compounds and their chemical reactivity.

Learning outcomes

Knowledge of different ways of chemical activation and study methods of the reaction mechanisms will help the student to understand the scientific literature in the corresponding field and interpret the results from the experimental and theoretical studies.

Syllabus

• 1. Basic Concepts. Dimension, time, rate and energy in chemistry. Chemical bond. The structure and bond deformation. Physical properties of compounds. Substituent effects. Tools to determine the chemical structures. 2. Molecular Orbitals and Reactivity. Construction of molecular orbitals. Hückel approximation. Correlation diagrams. Salem-Klopman equation. 3. Stability of Molecules. Thermochemical calculations. Conformation of acyclic and cyclic hydrocarbons and their derivatives. Torsion and stereoelectronic effects. Hyperconjugation. Anomeric effect. 4. Aromaticity. Aromaticity. Antiaromaticity. Homoaromaticity. Aromatic ions and dipoles. Polycyclic aromatic compounds. 5. Noncovalent Interactions and Solvation. Chemistry and phases. Solvent effects. Hughes-Ingold model. Hydrogen bonding. Halogen bonding. π-Interaction. Hydrophobic effect. CT interaction. Molecular recognition. 6. Acids and Bases. Acid-base equilibria in different solvents and phases. Acidity function. Substituent effects and strengths of Brønsted acids and bases. Kinetic acidity. 7. Chemical Reactivity. Hard and soft acids, bases, nucleophiles and electrophiles (HSAB theory). Rate constants and transition state. Activation and driving force of reactions. Activation enthalpy and entropy. Kinetics. Hammond postulate. Bell-Evans-Polanyi principle. O'Ferrall-Jencks diagrams. Curtin-Hammett principle. 8. Thermodynamics and Kinetics as the Tools to Study Mechanisms. Linear free energy relationship (LFER): Hammett equation. Taft equation. QSAR. Kinetic isotope effects. 9. Catalysis. Thermodynamic cycle. Specific and general acid-base catalysis. Brønsted coefficients. 10. Photochemistry. Electronic excitation. Photophysical and photochemical processes. Jablonski diagram. Energy transfer. Stern-Volmer analysis. Tools to study photochemical processes. 11. Electron Transfer. Ionization potential, electron affinity and CT complexes. Marcus theory. Electron transfer in SN2 reactions. 12. Non-Classical Activation of Chemical Reactions. Spin chemistry. Magnetic field effect. Magnetic isotope effect. Microwave chemistry. Sonochemistry. Mechanochemistry. Radiation chemistry. Plasma chemistry.

Literature

required literature
• ANSLYN, Eric V. and Dennis A. DOUGHERTY. Modern physical organic chemistry. Sausalito, Calif.: University Science Books, 2006, xxviii, 10. ISBN 1891389319. info

recommended literature
• FLEMING, Ian. Molecular orbitals and organic chemical reactions. Reference edition. Chichester: John Wiley & Sons, 2010, xii, 515. ISBN 9780470746585. info

Teaching methods

Lectures.

Assessment methods

One written final test (50% of correct answers is needed to pass) + the oral exam.

Language of instruction

English

Follow-Up Courses

• C1020 General Chemistry
• C2021 Organic Chemistry I
• C3022 Organic Chemistry II/1
• C3140 Physical Chemistry I
• C4020 Physical Chemistry II

Further Comments

Study Materials
The course can also be completed outside the examination period.
The course is taught annually.

Listed among pre-requisites of other courses

• C4450 Organic Chemistry III - synthesis
  (C3022||C3050)&&C5500&&C7410  
• C7415 Structure and Reactivity - seminar
  NOW(C7410)  
• C8500 Mechanisms of Organic Reactions
  C7410&&NOW(C8510)  
• C8510 Mechanisms of Organic Reactions - seminar
  C7410&&NOW(C8500)  

C7410 Structure and Reactivity

Extent and Intensity

2/0/0. 2 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: zk (examination). Other types of completion: k (colloquium).

Teacher(s)

prof. RNDr. Petr Klán, Ph.D. (lecturer)

Guaranteed by

prof. RNDr. Petr Klán, Ph.D.
Department of Chemistry – Chemistry Section – Faculty of Science
Contact Person: prof. RNDr. Petr Klán, Ph.D.
Supplier department: Department of Chemistry – Chemistry Section – Faculty of Science

Timetable

Mon 9:00–10:50 prace doma

Prerequisites

(( C1020 General Chemistry && C2021 Organic Chemistry I &&( C3022 Organic Chemistry II/1 || C3050 Organic Chemistry II )&&( C4660 Physical Chemistry I || C3140 Physical Chemistry I || C3401 Physical Chemistry I )&&( C4020 Physical Chemistry II || C4402 Physical Chemistry II ))&&NOW( C7415 Structure and Reactivity-sem. ))||SOUHLAS
organic chemistry, physical chemistry, physics

Course Enrolment Limitations

The course is also offered to the students of the fields other than those the course is directly associated with.

fields of study / plans the course is directly associated with

there are 13 fields of study the course is directly associated with, display

Course objectives

Students will learn to understand the relationship between the structure of organic compounds and their chemical reactivity.

Learning outcomes

Knowledge of different ways of chemical activation and study methods of the reaction mechanisms will help the student to understand the scientific literature in the corresponding field and interpret the results from the experimental and theoretical studies.

Syllabus

• 1. Basic Concepts. Dimension, time, rate and energy in chemistry. Chemical bond. The structure and bond deformation. Physical properties of compounds. Substituent effects. Tools to determine the chemical structures. 2. Molecular Orbitals and Reactivity. Construction of molecular orbitals. Hückel approximation. Correlation diagrams. Salem-Klopman equation. 3. Stability of Molecules. Thermochemical calculations. Conformation of acyclic and cyclic hydrocarbons and their derivatives. Torsion and stereoelectronic effects. Hyperconjugation. Anomeric effect. 4. Aromaticity. Aromaticity. Antiaromaticity. Homoaromaticity. Aromatic ions and dipoles. Polycyclic aromatic compounds. 5. Noncovalent Interactions and Solvation. Chemistry and phases. Solvent effects. Hughes-Ingold model. Hydrogen bonding. Halogen bonding. π-Interaction. Hydrophobic effect. CT interaction. Molecular recognition. 6. Acids and Bases. Acid-base equilibria in different solvents and phases. Acidity function. Substituent effects and strengths of Brønsted acids and bases. Kinetic acidity. 7. Chemical Reactivity. Hard and soft acids, bases, nucleophiles and electrophiles (HSAB theory). Rate constants and transition state. Activation and driving force of reactions. Activation enthalpy and entropy. Kinetics. Hammond postulate. Bell-Evans-Polanyi principle. O'Ferrall-Jencks diagrams. Curtin-Hammett principle. 8. Thermodynamics and Kinetics as the Tools to Study Mechanisms. Linear free energy relationship (LFER): Hammett equation. Taft equation. QSAR. Kinetic isotope effects. 9. Catalysis. Thermodynamic cycle. Specific and general acid-base catalysis. Brønsted coefficients. 10. Photochemistry. Electronic excitation. Photophysical and photochemical processes. Jablonski diagram. Energy transfer. Stern-Volmer analysis. Tools to study photochemical processes. 11. Electron Transfer. Ionization potential, electron affinity and CT complexes. Marcus theory. Electron transfer in SN2 reactions. 12. Non-Classical Activation of Chemical Reactions. Spin chemistry. Magnetic field effect. Magnetic isotope effect. Microwave chemistry. Sonochemistry. Mechanochemistry. Radiation chemistry. Plasma chemistry.

Literature

required literature
• ANSLYN, Eric V. and Dennis A. DOUGHERTY. Modern physical organic chemistry. Sausalito, Calif.: University Science Books, 2006, xxviii, 10. ISBN 1891389319. info

recommended literature
• FLEMING, Ian. Molecular orbitals and organic chemical reactions. Reference edition. Chichester: John Wiley & Sons, 2010, xii, 515. ISBN 9780470746585. info

Teaching methods

Lectures.

Assessment methods

One written final test (50% of correct answers is needed to pass) + the oral exam.

Language of instruction

English

Follow-Up Courses

• C1020 General Chemistry
• C2021 Organic Chemistry I
• C3022 Organic Chemistry II/1
• C3140 Physical Chemistry I
• C4020 Physical Chemistry II

Further Comments

Study Materials
The course can also be completed outside the examination period.
The course is taught annually.

Listed among pre-requisites of other courses

• C4450 Organic Chemistry III - synthesis
  (C3022||C3050)&&C5500&&C7410  
• C7415 Structure and Reactivity - seminar
  NOW(C7410)  
• C8500 Mechanisms of Organic Reactions
  C7410&&NOW(C8510)  
• C8510 Mechanisms of Organic Reactions - seminar
  C7410&&NOW(C8500)  

C7410 Structure and Reactivity

Extent and Intensity

2/0/0. 2 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: zk (examination). Other types of completion: k (colloquium).

Teacher(s)

prof. RNDr. Petr Klán, Ph.D. (lecturer)

Guaranteed by

prof. RNDr. Petr Klán, Ph.D.
Department of Chemistry – Chemistry Section – Faculty of Science
Contact Person: prof. RNDr. Petr Klán, Ph.D.
Supplier department: Department of Chemistry – Chemistry Section – Faculty of Science

Timetable

Mon 10:00–11:50 A08/309

Prerequisites

(( C1020 General Chemistry && C2021 Organic Chemistry I &&( C3022 Organic Chemistry II/1 || C3050 Organic Chemistry II )&&( C4660 Physical Chemistry I || C3140 Physical Chemistry I || C3401 Physical Chemistry I )&&( C4020 Physical Chemistry II || C4402 Physical Chemistry II ))&&NOW( C7415 Structure and Reactivity-sem. ))||SOUHLAS
organic chemistry, physical chemistry, physics

Course Enrolment Limitations

The course is also offered to the students of the fields other than those the course is directly associated with.

fields of study / plans the course is directly associated with

there are 13 fields of study the course is directly associated with, display

Course objectives

Students will learn to understand the relationship between the structure of organic compounds and their chemical reactivity.

Learning outcomes

Knowledge of different ways of chemical activation and study methods of the reaction mechanisms will help the student to understand the scientific literature in the corresponding field and interpret the results from the experimental and theoretical studies.

Syllabus

• 1. Basic Concepts. Dimension, time, rate and energy in chemistry. Chemical bond. The structure and bond deformation. Physical properties of compounds. Substituent effects. Tools to determine the chemical structures. 2. Molecular Orbitals and Reactivity. Construction of molecular orbitals. Hückel approximation. Correlation diagrams. Salem-Klopman equation. 3. Stability of Molecules. Thermochemical calculations. Conformation of acyclic and cyclic hydrocarbons and their derivatives. Torsion and stereoelectronic effects. Hyperconjugation. Anomeric effect. 4. Aromaticity. Aromaticity. Antiaromaticity. Homoaromaticity. Aromatic ions and dipoles. Polycyclic aromatic compounds. 5. Noncovalent Interactions and Solvation. Chemistry and phases. Solvent effects. Hughes-Ingold model. Hydrogen bonding. Halogen bonding. π-Interaction. Hydrophobic effect. CT interaction. Molecular recognition. 6. Acids and Bases. Acid-base equilibria in different solvents and phases. Acidity function. Substituent effects and strengths of Brønsted acids and bases. Kinetic acidity. 7. Chemical Reactivity. Hard and soft acids, bases, nucleophiles and electrophiles (HSAB theory). Rate constants and transition state. Activation and driving force of reactions. Activation enthalpy and entropy. Kinetics. Hammond postulate. Bell-Evans-Polanyi principle. O'Ferrall-Jencks diagrams. Curtin-Hammett principle. 8. Thermodynamics and Kinetics as the Tools to Study Mechanisms. Linear free energy relationship (LFER): Hammett equation. Taft equation. QSAR. Kinetic isotope effects. 9. Catalysis. Thermodynamic cycle. Specific and general acid-base catalysis. Brønsted coefficients. 10. Photochemistry. Electronic excitation. Photophysical and photochemical processes. Jablonski diagram. Energy transfer. Stern-Volmer analysis. Tools to study photochemical processes. 11. Electron Transfer. Ionization potential, electron affinity and CT complexes. Marcus theory. Electron transfer in SN2 reactions. 12. Non-Classical Activation of Chemical Reactions. Spin chemistry. Magnetic field effect. Magnetic isotope effect. Microwave chemistry. Sonochemistry. Mechanochemistry. Radiation chemistry. Plasma chemistry.

Literature

required literature
• ANSLYN, Eric V. and Dennis A. DOUGHERTY. Modern physical organic chemistry. Sausalito, Calif.: University Science Books, 2006, xxviii, 10. ISBN 1891389319. info

recommended literature
• FLEMING, Ian. Molecular orbitals and organic chemical reactions. Reference edition. Chichester: John Wiley & Sons, 2010, xii, 515. ISBN 9780470746585. info

Teaching methods

Lectures.

Assessment methods

One written final test (50% of correct answers is needed to pass) + the oral exam.

Language of instruction

English

Follow-Up Courses

• C1020 General Chemistry
• C2021 Organic Chemistry I
• C3022 Organic Chemistry II/1
• C3140 Physical Chemistry I
• C4020 Physical Chemistry II

Further Comments

Study Materials
The course can also be completed outside the examination period.
The course is taught annually.

Listed among pre-requisites of other courses

• C4450 Organic Chemistry III - synthesis
  (C3022||C3050)&&C5500&&C7410  
• C7415 Structure and Reactivity - seminar
  NOW(C7410)  
• C8500 Mechanisms of Organic Reactions
  C7410&&NOW(C8510)  
• C8510 Mechanisms of Organic Reactions - seminar
  C7410&&NOW(C8500)  

C7410 Structure and Reactivity

Extent and Intensity

2/0/0. 2 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: zk (examination). Other types of completion: k (colloquium).

Teacher(s)

prof. RNDr. Petr Klán, Ph.D. (lecturer)

Guaranteed by

prof. RNDr. Petr Klán, Ph.D.
Department of Chemistry – Chemistry Section – Faculty of Science
Contact Person: prof. RNDr. Petr Klán, Ph.D.
Supplier department: Department of Chemistry – Chemistry Section – Faculty of Science

Timetable

Mon 17. 9. to Fri 14. 12. Mon 9:00–10:50 A08/309

Prerequisites

(( C1020 General Chemistry && C2021 Organic Chemistry I &&( C3022 Organic Chemistry II/1 || C3050 Organic Chemistry II )&&( C4660 Basic Physical Chemistry || C3140 Physical Chemistry I || C3401 Physical Chemistry I )&&( C4020 Advanced Physical Chemistry || C4402 Physical Chemistry II ))&&NOW( C7415 Structure and Reactivity-sem. ))||SOUHLAS
organic chemistry, physical chemistry, physics

Course Enrolment Limitations

The course is also offered to the students of the fields other than those the course is directly associated with.

fields of study / plans the course is directly associated with

there are 12 fields of study the course is directly associated with, display

Course objectives

Students will learn to understand the relationship between the structure of organic compounds and their chemical reactivity.

Learning outcomes

Knowledge of different ways of chemical activation and study methods of the reaction mechanisms will help the student to understand the scientific literature in the corresponding field and interpret the results from the experimental and theoretical studies.

Syllabus

• 1. Basic Concepts. Dimension, time, rate and energy in chemistry. Chemical bond. The structure and bond deformation. Physical properties of compounds. Substituent effects. Tools to determine the chemical structures. 2. Molecular Orbitals and Reactivity. Construction of molecular orbitals. Hückel approximation. Correlation diagrams. Salem-Klopman equation. 3. Stability of Molecules. Thermochemical calculations. Conformation of acyclic and cyclic hydrocarbons and their derivatives. Torsion and stereoelectronic effects. Hyperconjugation. Anomeric effect. 4. Aromaticity. Aromaticity. Antiaromaticity. Homoaromaticity. Aromatic ions and dipoles. Polycyclic aromatic compounds. 5. Noncovalent Interactions and Solvation. Chemistry and phases. Solvent effects. Hughes-Ingold model. Hydrogen bonding. Halogen bonding. π-Interaction. Hydrophobic effect. CT interaction. Molecular recognition. 6. Acids and Bases. Acid-base equilibria in different solvents and phases. Acidity function. Substituent effects and strengths of Brønsted acids and bases. Kinetic acidity. 7. Chemical Reactivity. Hard and soft acids, bases, nucleophiles and electrophiles (HSAB theory). Rate constants and transition state. Activation and driving force of reactions. Activation enthalpy and entropy. Kinetics. Hammond postulate. Bell-Evans-Polanyi principle. O'Ferrall-Jencks diagrams. Curtin-Hammett principle. 8. Thermodynamics and Kinetics as the Tools to Study Mechanisms. Linear free energy relationship (LFER): Hammett equation. Taft equation. QSAR. Kinetic isotope effects. 9. Catalysis. Thermodynamic cycle. Specific and general acid-base catalysis. Brønsted coefficients. 10. Photochemistry. Electronic excitation. Photophysical and photochemical processes. Jablonski diagram. Energy transfer. Stern-Volmer analysis. Tools to study photochemical processes. 11. Electron Transfer. Ionization potential, electron affinity and CT complexes. Marcus theory. Electron transfer in SN2 reactions. 12. Non-Classical Activation of Chemical Reactions. Spin chemistry. Magnetic field effect. Magnetic isotope effect. Microwave chemistry. Sonochemistry. Mechanochemistry. Radiation chemistry. Plasma chemistry.

Literature

required literature
• ANSLYN, Eric V. and Dennis A. DOUGHERTY. Modern physical organic chemistry. Sausalito, Calif.: University Science Books, 2006, xxviii, 10. ISBN 1891389319. info

recommended literature
• FLEMING, Ian. Molecular orbitals and organic chemical reactions. Reference edition. Chichester: John Wiley & Sons, 2010, xii, 515. ISBN 9780470746585. info

Teaching methods

Lectures.

Assessment methods

One written final test (50% of correct answers is needed to pass) + the oral exam.

Language of instruction

English

Follow-Up Courses

• C1020 General Chemistry
• C2021 Organic Chemistry I
• C3022 Organic Chemistry II/1
• C3140 Physical Chemistry I
• C4020 Physical Chemistry II

Further Comments

Study Materials
The course can also be completed outside the examination period.
The course is taught annually.

Listed among pre-requisites of other courses

• C4450 Organic Chemistry III - synthesis
  (C3022||C3050)&&C5500&&C7410  
• C7415 Structure and Reactivity - seminar
  NOW(C7410)  
• C8500 Mechanisms of Organic Reactions
  C7410&&NOW(C8510)  
• C8510 Mechanisms of Organic Reactions - seminar
  C7410&&NOW(C8500)  

C7410 Structure and Reactivity

Extent and Intensity

2/0/0. 2 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: zk (examination). Other types of completion: k (colloquium).

Teacher(s)

prof. RNDr. Petr Klán, Ph.D. (lecturer)

Guaranteed by

prof. RNDr. Petr Klán, Ph.D.
Department of Chemistry – Chemistry Section – Faculty of Science
Contact Person: prof. RNDr. Petr Klán, Ph.D.
Supplier department: Department of Chemistry – Chemistry Section – Faculty of Science

Timetable

Mon 18. 9. to Fri 15. 12. Mon 9:00–10:50 A08/309

Prerequisites

(( C1020 General Chemistry && C2021 Organic Chemistry I &&( C3022 Organic Chemistry II/1 || C3050 Organic Chemistry II )&&( C4660 Basic Physical Chemistry || C3140 Physical Chemistry I || C3401 Physical Chemistry I )&&( C4020 Advanced Physical Chemistry || C4402 Physical Chemistry II ))&&NOW( C7415 Structure and Reactivity ))||SOUHLAS
organic chemistry, physical chemistry, physics

Course Enrolment Limitations

The course is also offered to the students of the fields other than those the course is directly associated with.

fields of study / plans the course is directly associated with

there are 12 fields of study the course is directly associated with, display

Course objectives

Students will learn to understand the relationship between the structure of organic compounds and their chemical reactivity.

Learning outcomes

Knowledge of different ways of chemical activation and study methods of the reaction mechanisms will help the student to understand the scientific literature in the corresponding field and interpret the results from the experimental and theoretical studies.

Syllabus

• 1. Structure and reactivity relationship. Calibration points in chemistry. Inner parameters of the structure and its deformations. Physical properties caused by (a) geometry of nuclei, (b) electron density and its change. Activation and driving force of the chemical reactions. 2. Theory of molecular orbitals. Hückel approximation. 3. Stability of molecules. Thermodynamic additive calculations. Conformations of acyclic and cyclic hydrocarbons. Heteroatom effects. Hyperconjugation. Anomeric effect. 4. Aromaticity a antiaromaticity. Aromatic ions and dipoles. Aromaticity of the transition state in the pericyclic reactions. 5. Non-covalent interactions and solvent effects. Solutions. Hughes-Ingold principles. H-bonding. Hydrophobic effect. Molecular recognition. 6. Proton transfer. Acid-base equilibria. 7. Chemical kinetics and reactivity. HSAB. Nucleophiles and electrophiles. Rate constants. Hammond and Curtin-Hammond principles. Driving force of the reactions. 8. Thermodynamics and kinetics - the tools to study chemical reactions. LFER. Hammett equation. Taft equation. QSAR. Kinetic isotope effects. Entropy vs. enthalpy. 9. Catalysis. Transition metal catalysis. Heterogeneous catalysis. Enzymatic catalysis. Brönsted catalysis. 10. Electron transfer. Marcus equation. 11. Photochemistry and photophysics. 12. Non-classical activation of chemical reactions. Spin chemistry. Magnetic field effects. Microwave chemistry. Sonochemistry.

Literature

required literature
• ANSLYN, Eric V. and Dennis A. DOUGHERTY. Modern physical organic chemistry. Sausalito, Calif.: University Science Books, 2006, xxviii, 10. ISBN 1891389319. info

recommended literature
• FLEMING, Ian. Molecular orbitals and organic chemical reactions. Reference edition. Chichester: John Wiley & Sons, 2010, xii, 515. ISBN 9780470746585. info

Teaching methods

Lectures.

Assessment methods

One written final test (50% of correct answers is needed to pass) + the oral exam.

Language of instruction

Czech

Follow-Up Courses

• C1020 General Chemistry
• C2021 Organic Chemistry I
• C3022 Organic Chemistry II/1
• C3140 Physical Chemistry I
• C4020 Physical Chemistry II

Further Comments

Study Materials
The course can also be completed outside the examination period.
The course is taught annually.

Listed among pre-requisites of other courses

• C4450 Organic Chemistry III - synthesis
  (C3022||C3050)&&C5500&&C7410  
• C7415 Structure and Reactivity - seminar
  NOW(C7410)  
• C8500 Mechanisms of Organic Reactions
  C7410&&NOW(C8510)  
• C8510 Mechanisms of Organic Reactions - seminar
  C7410&&NOW(C8500)  

C7410 Structure and Reactivity

Extent and Intensity

2/0/0. 2 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: zk (examination). Other types of completion: k (colloquium).

Teacher(s)

prof. RNDr. Petr Klán, Ph.D. (lecturer)

Guaranteed by

prof. RNDr. Petr Klán, Ph.D.
Department of Chemistry – Chemistry Section – Faculty of Science
Contact Person: prof. RNDr. Petr Klán, Ph.D.
Supplier department: Department of Chemistry – Chemistry Section – Faculty of Science

Timetable

Mon 19. 9. to Sun 18. 12. Mon 9:00–10:50 A08/309

Prerequisites

(( C1020 General Chemistry && C2021 Organic Chemistry I &&( C3022 Organic Chemistry II/1 || C3050 Organic Chemistry II )&&( C4660 Basic Physical Chemistry || C3140 Physical Chemistry I || C3401 Physical Chemistry I )&&( C4020 Advanced Physical Chemistry || C4402 Physical Chemistry II ))&&NOW( C7415 Structure and Reactivity ))||SOUHLAS
organic chemistry, physical chemistry, physics

Course Enrolment Limitations

The course is also offered to the students of the fields other than those the course is directly associated with.

fields of study / plans the course is directly associated with

there are 12 fields of study the course is directly associated with, display

Course objectives

In the end of this course, the student will be able to understand the relationship between the structure of organic compounds and their chemical reactivity. Knowledge of different ways of chemical activation and study methods of the reaction mechanisms will help the student to understand the scientific literature in the corresponding field and interpret the results from the experimental and theoretical studies.

Syllabus

• 1. Structure and reactivity relationship. Calibration points in chemistry. Inner parameters of the structure and its deformations. Physical properties caused by (a) geometry of nuclei, (b) electron density and its change. Activation and driving force of the chemical reactions. 2. Theory of molecular orbitals. Hückel approximation. 3. Stability of molecules. Thermodynamic additive calculations. Conformations of acyclic and cyclic hydrocarbons. Heteroatom effects. Hyperconjugation. Anomeric effect. 4. Aromaticity a antiaromaticity. Aromatic ions and dipoles. Aromaticity of the transition state in the pericyclic reactions. 5. Non-covalent interactions and solvent effects. Solutions. Hughes-Ingold principles. H-bonding. Hydrophobic effect. Molecular recognition. 6. Proton transfer. Acid-base equilibria. 7. Chemical kinetics and reactivity. HSAB. Nucleophiles and electrophiles. Rate constants. Hammond and Curtin-Hammond principles. Driving force of the reactions. 8. Thermodynamics and kinetics - the tools to study chemical reactions. LFER. Hammett equation. Taft equation. QSAR. Kinetic isotope effects. Entropy vs. enthalpy. 9. Catalysis. Transition metal catalysis. Heterogeneous catalysis. Enzymatic catalysis. Brönsted catalysis. 10. Electron transfer. Marcus equation. 11. Photochemistry and photophysics. 12. Non-classical activation of chemical reactions. Spin chemistry. Magnetic field effects. Microwave chemistry. Sonochemistry.

Literature

required literature
• E. V. Anslyn, D. A. Dougherty: Modern Physical Organic Chemistry. University Science Books, Kausalito, California 2005. ISBN 1-891389-9

not specified
• O. Exner: Korelační vztahy v organické chemii. SNTL, Praha 1981
• O. Exner: Struktura a fyzikální vlastnosti organických sloučenin. SNTL, Praha 1985.
• I. Fleming: Hraniční orbitaly a reakce v organické chemii. SNTL, Praha 1983.
• F. A. Carey, R. J. Sundberg: Advanced Organic Chemistry, 3rd edition, Part A: Structure and Mechanisms. Plenum Press, New York, 1993.

Teaching methods

Lectures.

Assessment methods

One written final test (50% of correct answers is needed to pass) + the oral exam.

Language of instruction

Czech

Follow-Up Courses

• C1020 General Chemistry
• C2021 Organic Chemistry I
• C3022 Organic Chemistry II/1
• C3140 Physical Chemistry I
• C4020 Physical Chemistry II

Further Comments

Study Materials
The course can also be completed outside the examination period.
The course is taught annually.

Listed among pre-requisites of other courses

• C4450 Organic Chemistry III - synthesis
  (C3022||C3050)&&C5500&&C7410  
• C7415 Structure and Reactivity - seminar
  NOW(C7410)  
• C8500 Mechanisms of Organic Reactions
  C7410&&NOW(C8510)  
• C8510 Mechanisms of Organic Reactions - seminar
  C7410&&NOW(C8500)  

C7410 Structure and Reactivity

Extent and Intensity

2/0/0. 2 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: zk (examination). Other types of completion: k (colloquium).

Teacher(s)

prof. RNDr. Petr Klán, Ph.D. (lecturer)

Guaranteed by

prof. RNDr. Petr Klán, Ph.D.
Department of Chemistry – Chemistry Section – Faculty of Science
Contact Person: prof. RNDr. Petr Klán, Ph.D.
Supplier department: Department of Chemistry – Chemistry Section – Faculty of Science

Timetable

Mon 9:00–10:50 A08/309

Prerequisites

(( C1020 General Chemistry && C2021 Organic Chemistry I &&( C3022 Organic Chemistry II/1 || C3050 Organic Chemistry II )&&( C4660 Basic Physical Chemistry || C3140 Physical Chemistry I || C3401 Physical Chemistry I )&&( C4020 Advanced Physical Chemistry || C4402 Physical Chemistry II ))&&NOW( C7415 Structure and Reactivity ))||SOUHLAS
organic chemistry, physical chemistry, physics

Course Enrolment Limitations

The course is also offered to the students of the fields other than those the course is directly associated with.

fields of study / plans the course is directly associated with

there are 12 fields of study the course is directly associated with, display

Course objectives

In the end of this course, the student will be able to understand the relationship between the structure of organic compounds and their chemical reactivity. Knowledge of different ways of chemical activation and study methods of the reaction mechanisms will help the student to understand the scientific literature in the corresponding field and interpret the results from the experimental and theoretical studies.

Syllabus

• 1. Structure and reactivity relationship. Calibration points in chemistry. Inner parameters of the structure and its deformations. Physical properties caused by (a) geometry of nuclei, (b) electron density and its change. Activation and driving force of the chemical reactions. 2. Theory of molecular orbitals. Hückel approximation. 3. Stability of molecules. Thermodynamic additive calculations. Conformations of acyclic and cyclic hydrocarbons. Heteroatom effects. Hyperconjugation. Anomeric effect. 4. Aromaticity a antiaromaticity. Aromatic ions and dipoles. Aromaticity of the transition state in the pericyclic reactions. 5. Non-covalent interactions and solvent effects. Solutions. Hughes-Ingold principles. H-bonding. Hydrophobic effect. Molecular recognition. 6. Proton transfer. Acid-base equilibria. 7. Chemical kinetics and reactivity. HSAB. Nucleophiles and electrophiles. Rate constants. Hammond and Curtin-Hammond principles. Driving force of the reactions. 8. Thermodynamics and kinetics - the tools to study chemical reactions. LFER. Hammett equation. Taft equation. QSAR. Kinetic isotope effects. Entropy vs. enthalpy. 9. Catalysis. Transition metal catalysis. Heterogeneous catalysis. Enzymatic catalysis. Brönsted catalysis. 10. Electron transfer. Marcus equation. 11. Photochemistry and photophysics. 12. Non-classical activation of chemical reactions. Spin chemistry. Magnetic field effects. Microwave chemistry. Sonochemistry.

Literature

required literature
• E. V. Anslyn, D. A. Dougherty: Modern Physical Organic Chemistry. University Science Books, Kausalito, California 2005. ISBN 1-891389-9

not specified
• O. Exner: Korelační vztahy v organické chemii. SNTL, Praha 1981
• O. Exner: Struktura a fyzikální vlastnosti organických sloučenin. SNTL, Praha 1985.
• I. Fleming: Hraniční orbitaly a reakce v organické chemii. SNTL, Praha 1983.
• F. A. Carey, R. J. Sundberg: Advanced Organic Chemistry, 3rd edition, Part A: Structure and Mechanisms. Plenum Press, New York, 1993.

Teaching methods

Lectures.

Assessment methods

One written final test (50% of correct answers is needed to pass) + the oral exam.

Language of instruction

Czech

Follow-Up Courses

• C1020 General Chemistry
• C2021 Organic Chemistry I
• C3022 Organic Chemistry II/1
• C3140 Physical Chemistry I
• C4020 Physical Chemistry II

Further Comments

Study Materials
The course can also be completed outside the examination period.
The course is taught annually.

Listed among pre-requisites of other courses

• C4450 Organic Chemistry III - synthesis
  (C3022||C3050)&&C5500&&C7410  
• C7415 Structure and Reactivity - seminar
  NOW(C7410)  
• C8500 Mechanisms of Organic Reactions
  C7410&&NOW(C8510)  
• C8510 Mechanisms of Organic Reactions - seminar
  C7410&&NOW(C8500)  

C7410 Structure and Reactivity

Extent and Intensity

2/0/0. 2 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: zk (examination). Other types of completion: k (colloquium).

Teacher(s)

prof. RNDr. Petr Klán, Ph.D. (lecturer)

Guaranteed by

prof. RNDr. Petr Klán, Ph.D.
Department of Chemistry – Chemistry Section – Faculty of Science
Contact Person: prof. RNDr. Petr Klán, Ph.D.
Supplier department: Department of Chemistry – Chemistry Section – Faculty of Science

Timetable

Mon 9:00–10:50 A08/309

Prerequisites

(( C1020 General Chemistry && C2021 Organic Chemistry I &&( C3022 Organic Chemistry II/1 || C3050 Organic Chemistry II )&&( C4660 Basic Physical Chemistry || C3140 Physical Chemistry I || C3401 Physical Chemistry I )&&( C4020 Advanced Physical Chemistry || C4402 Physical Chemistry II ))&&NOW( C7415 Structure and Reactivity ))||SOUHLAS
organic chemistry, physical chemistry, physics

Course Enrolment Limitations

The course is also offered to the students of the fields other than those the course is directly associated with.

fields of study / plans the course is directly associated with

• Macromolecular Chemistry (programme PřF, D-CH) (2)
• Organic Chemistry (programme PřF, N-CH)

Course objectives

In the end of this course, the student will be able to understand the relationship between the structure of organic compounds and their chemical reactivity. Knowledge of different ways of chemical activation and study methods of the reaction mechanisms will help the student to understand the scientific literature in the corresponding field and interpret the results from the experimental and theoretical studies.

Syllabus

• 1. Structure and reactivity relationship. Calibration points in chemistry. Inner parameters of the structure and its deformations. Physical properties caused by (a) geometry of nuclei, (b) electron density and its change. Activation and driving force of the chemical reactions. 2. Theory of molecular orbitals. Hückel approximation. 3. Stability of molecules. Thermodynamic additive calculations. Conformations of acyclic and cyclic hydrocarbons. Heteroatom effects. Hyperconjugation. Anomeric effect. 4. Aromaticity a antiaromaticity. Aromatic ions and dipoles. Aromaticity of the transition state in the pericyclic reactions. 5. Non-covalent interactions and solvent effects. Solutions. Hughes-Ingold principles. H-bonding. Hydrophobic effect. Molecular recognition. 6. Proton transfer. Acid-base equilibria. 7. Chemical kinetics and reactivity. HSAB. Nucleophiles and electrophiles. Rate constants. Hammond and Curtin-Hammond principles. Driving force of the reactions. 8. Thermodynamics and kinetics - the tools to study chemical reactions. LFER. Hammett equation. Taft equation. QSAR. Kinetic isotope effects. Entropy vs. enthalpy. 9. Catalysis. Transition metal catalysis. Heterogeneous catalysis. Enzymatic catalysis. Brönsted catalysis. 10. Electron transfer. Marcus equation. 11. Photochemistry and photophysics. 12. Non-classical activation of chemical reactions. Spin chemistry. Magnetic field effects. Microwave chemistry. Sonochemistry.

Literature

required literature
• E. V. Anslyn, D. A. Dougherty: Modern Physical Organic Chemistry. University Science Books, Kausalito, California 2005. ISBN 1-891389-9

not specified
• O. Exner: Korelační vztahy v organické chemii. SNTL, Praha 1981
• O. Exner: Struktura a fyzikální vlastnosti organických sloučenin. SNTL, Praha 1985.
• I. Fleming: Hraniční orbitaly a reakce v organické chemii. SNTL, Praha 1983.
• F. A. Carey, R. J. Sundberg: Advanced Organic Chemistry, 3rd edition, Part A: Structure and Mechanisms. Plenum Press, New York, 1993.

Teaching methods

Lectures.

Assessment methods

One written final test (50% of correct answers is needed to pass) + the oral exam.

Language of instruction

Czech

Follow-Up Courses

• C1020 General Chemistry
• C2021 Organic Chemistry I
• C3022 Organic Chemistry II/1
• C3140 Physical Chemistry I
• C4020 Physical Chemistry II

Further Comments

Study Materials
The course can also be completed outside the examination period.
The course is taught annually.

Listed among pre-requisites of other courses

• C4450 Organic Chemistry III - synthesis
  (C3022||C3050)&&C5500&&C7410  
• C7415 Structure and Reactivity - seminar
  NOW(C7410)  
• C8500 Mechanisms of Organic Reactions
  C7410&&NOW(C8510)  
• C8510 Mechanisms of Organic Reactions - seminar
  C7410&&NOW(C8500)  

C7410 Structure and Reactivity

Extent and Intensity

2/0/0. 2 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: zk (examination). Other types of completion: k (colloquium).

Teacher(s)

prof. RNDr. Petr Klán, Ph.D. (lecturer)

Guaranteed by

prof. RNDr. Petr Klán, Ph.D.
Department of Chemistry – Chemistry Section – Faculty of Science
Contact Person: prof. RNDr. Petr Klán, Ph.D.
Supplier department: Department of Chemistry – Chemistry Section – Faculty of Science

Timetable

Thu 9:00–10:50 A08/309

Prerequisites

(( C1020 General Chemistry && C2021 Organic Chemistry I &&( C3022 Organic Chemistry II/1 || C3050 Organic Chemistry II )&&( C4660 Basic Physical Chemistry || C3140 Physical Chemistry I || C3401 Physical Chemistry I )&&( C4020 Advanced Physical Chemistry || C4402 Physical Chemistry II ))&&NOW( C7415 Structure and Reactivity ))||SOUHLAS
organic chemistry, physical chemistry, physics

Course Enrolment Limitations

The course is also offered to the students of the fields other than those the course is directly associated with.

fields of study / plans the course is directly associated with

there are 13 fields of study the course is directly associated with, display

Course objectives

In the end of this course, the student will be able to understand the relationship between the structure of organic compounds and their chemical reactivity. Knowledge of different ways of chemical activation and study methods of the reaction mechanisms will help the student to understand the scientific literature in the corresponding field and interpret the results from the experimental and theoretical studies.

Syllabus

• 1. Structure and reactivity relationship. Calibration points in chemistry. Inner parameters of the structure and its deformations. Physical properties caused by (a) geometry of nuclei, (b) electron density and its change. Activation and driving force of the chemical reactions. 2. Theory of molecular orbitals. Hückel approximation. 3. Stability of molecules. Thermodynamic additive calculations. Conformations of acyclic and cyclic hydrocarbons. Heteroatom effects. Hyperconjugation. Anomeric effect. 4. Aromaticity a antiaromaticity. Aromatic ions and dipoles. Aromaticity of the transition state in the pericyclic reactions. 5. Non-covalent interactions and solvent effects. Solutions. Hughes-Ingold principles. H-bonding. Hydrophobic effect. Molecular recognition. 6. Proton transfer. Acid-base equilibria. 7. Chemical kinetics and reactivity. HSAB. Nucleophiles and electrophiles. Rate constants. Hammond and Curtin-Hammond principles. Driving force of the reactions. 8. Thermodynamics and kinetics - the tools to study chemical reactions. LFER. Hammett equation. Taft equation. QSAR. Kinetic isotope effects. Entropy vs. enthalpy. 9. Catalysis. Transition metal catalysis. Heterogeneous catalysis. Enzymatic catalysis. Brönsted catalysis. 10. Electron transfer. Marcus equation. 11. Photochemistry and photophysics. 12. Non-classical activation of chemical reactions. Spin chemistry. Magnetic field effects. Microwave chemistry. Sonochemistry.

Literature

required literature
• E. V. Anslyn, D. A. Dougherty: Modern Physical Organic Chemistry. University Science Books, Kausalito, California 2005. ISBN 1-891389-9

not specified
• O. Exner: Korelační vztahy v organické chemii. SNTL, Praha 1981
• O. Exner: Struktura a fyzikální vlastnosti organických sloučenin. SNTL, Praha 1985.
• I. Fleming: Hraniční orbitaly a reakce v organické chemii. SNTL, Praha 1983.
• F. A. Carey, R. J. Sundberg: Advanced Organic Chemistry, 3rd edition, Part A: Structure and Mechanisms. Plenum Press, New York, 1993.

Teaching methods

Lectures.

Assessment methods

One written final test (50% of correct answers is needed to pass) + the oral exam.

Language of instruction

Czech

Follow-Up Courses

• C1020 General Chemistry
• C2021 Organic Chemistry I
• C3022 Organic Chemistry II/1
• C3140 Physical Chemistry I
• C4020 Physical Chemistry II

Further Comments

Study Materials
The course can also be completed outside the examination period.
The course is taught annually.

Listed among pre-requisites of other courses

• C4450 Organic Chemistry III - synthesis
  (C3022||C3050)&&C5500&&C7410  
• C7415 Structure and Reactivity - seminar
  NOW(C7410)  
• C8500 Mechanisms of Organic Reactions
  C7410&&NOW(C8510)  
• C8510 Mechanisms of Organic Reactions - seminar
  C7410&&NOW(C8500)  

C7410 Structure and Reactivity

Extent and Intensity

2/0/0. 2 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: zk (examination). Other types of completion: k (colloquium).

Teacher(s)

prof. RNDr. Petr Klán, Ph.D. (lecturer)

Guaranteed by

prof. RNDr. Petr Klán, Ph.D.
Department of Chemistry – Chemistry Section – Faculty of Science
Contact Person: prof. RNDr. Petr Klán, Ph.D.
Supplier department: Department of Chemistry – Chemistry Section – Faculty of Science

Timetable

Mon 9:00–10:50 A08/309

Prerequisites

(( C1020 General Chemistry && C2021 Organic Chemistry I &&( C3022 Organic Chemistry II/1 || C3050 Organic Chemistry II )&&( C4660 Basic Physical Chemistry || C3140 Physical Chemistry I || C3401 Physical Chemistry I )&&( C4020 Advanced Physical Chemistry || C4402 Physical Chemistry II ))&&NOW( C7415 Structure and Reactivity ))||SOUHLAS
organic chemistry, physical chemistry, physics

Course Enrolment Limitations

The course is also offered to the students of the fields other than those the course is directly associated with.

fields of study / plans the course is directly associated with

• Macromolecular Chemistry (programme PřF, D-CH) (2)
• Organic Chemistry (programme PřF, N-CH)

Course objectives

The main objective of the course is to provide an information about the relationship between the structure of organic compounds and their chemical reactivity. Different ways of chemical activation and the courses of the ractions are discussed.

Syllabus

• 1. Structure and reactivity relationship. Calibration points in chemistry. Inner parameters of the structure and its deformations. Physical properties caused by (a) geometry of nuclei, (b) electron density and its change. Activation and driving force of the chemical reactions. 2. Theory of molecular orbitals. Hückel approximation. 3. Stability of molecules. Thermodynamic additive calculations. Conformations of acyclic and cyclic hydrocarbons. Heteroatom effects. Hyperconjugation. Anomeric effect. 4. Aromaticity a antiaromaticity. Aromatic ions and dipoles. Aromaticity of the transition state in the pericyclic reactions. 5. Non-covalent interactions and solvent effects. Solutions. Hughes-Ingold principles. H-bonding. Hydrophobic effect. Molecular recognition. 6. Proton transfer. Acid-base equilibria. 7. Chemical kinetics and reactivity. HSAB. Nucleophiles and electrophiles. Rate constants. Hammond and Curtin-Hammond principles. Driving force of the reactions. 8. Thermodynamics and kinetics - the tools to study chemical reactions. LFER. Hammett equation. Taft equation. QSAR. Kinetic isotope effects. Entropy vs. enthalpy. 9. Catalysis. Transition metal catalysis. Heterogeneous catalysis. Enzymatic catalysis. Brönsted catalysis. 10. Electron transfer. Marcus equation. 11. Photochemistry and photophysics. 12. Non-classical activation of chemical reactions. Spin chemistry. Magnetic field effects. Microwave chemistry. Sonochemistry.

Literature

required literature
• E. V. Anslyn, D. A. Dougherty: Modern Physical Organic Chemistry. University Science Books, Kausalito, California 2005. ISBN 1-891389-9

not specified
• O. Exner: Korelační vztahy v organické chemii. SNTL, Praha 1981
• O. Exner: Struktura a fyzikální vlastnosti organických sloučenin. SNTL, Praha 1985.
• I. Fleming: Hraniční orbitaly a reakce v organické chemii. SNTL, Praha 1983.
• F. A. Carey, R. J. Sundberg: Advanced Organic Chemistry, 3rd edition, Part A: Structure and Mechanisms. Plenum Press, New York, 1993.

Teaching methods

Lectures.

Assessment methods

1 written final test + oral exam.

Language of instruction

Czech

Follow-Up Courses

• C1020 General Chemistry
• C2021 Organic Chemistry I
• C3022 Organic Chemistry II/1
• C3140 Physical Chemistry I
• C4020 Physical Chemistry II

Further Comments

Study Materials
The course can also be completed outside the examination period.
The course is taught annually.

Listed among pre-requisites of other courses

• C4450 Organic Chemistry III - synthesis
  (C3022||C3050)&&C5500&&C7410  
• C7415 Structure and Reactivity - seminar
  NOW(C7410)  
• C8500 Mechanisms of Organic Reactions
  C7410&&NOW(C8510)  
• C8510 Mechanisms of Organic Reactions - seminar
  C7410&&NOW(C8500)  

C7410 Structure and Reactivity

Extent and Intensity

2/0/0. 2 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: zk (examination). Other types of completion: k (colloquium).

Teacher(s)

prof. RNDr. Petr Klán, Ph.D. (lecturer)

Guaranteed by

prof. RNDr. Petr Klán, Ph.D.
Department of Chemistry – Chemistry Section – Faculty of Science
Contact Person: prof. RNDr. Petr Klán, Ph.D.

Timetable

Wed 9:00–10:50 A08/309

Prerequisites

(( C1020 General Chemistry && C2021 Organic Chemistry I && C3022 Organic Chemistry II &&( C4660 Basic Physical Chemistry || C3140 Physical Chemistry I || C3401 Physical Chemistry I )&&( C4020 Advanced Physical Chemistry || C4402 Physical Chemistry II ))&&NOW( C7415 Structure and Reactivity ))||SOUHLAS
organic chemistry, physical chemistry, physics

Course Enrolment Limitations

The course is also offered to the students of the fields other than those the course is directly associated with.

fields of study / plans the course is directly associated with

there are 14 fields of study the course is directly associated with, display

Course objectives

The main objective of the course is to provide an information about the relationship between the structure of organic compounds and their chemical reactivity. Different ways of chemical activation and the courses of the ractions are discussed.

Syllabus

• 1. Structure and reactivity relationship. Calibration points in chemistry. Inner parameters of the structure and its deformations. Physical properties caused by (a) geometry of nuclei, (b) electron density and its change. Activation and driving force of the chemical reactions. 2. Theory of molecular orbitals. Hückel approximation. 3. Stability of molecules. Thermodynamic additive calculations. Conformations of acyclic and cyclic hydrocarbons. Heteroatom effects. Hyperconjugation. Anomeric effect. 4. Aromaticity a antiaromaticity. Aromatic ions and dipoles. Aromaticity of the transition state in the pericyclic reactions. 5. Non-covalent interactions and solvent effects. Solutions. Hughes-Ingold principles. H-bonding. Hydrophobic effect. Molecular recognition. 6. Proton transfer. Acid-base equilibria. 7. Chemical kinetics and reactivity. HSAB. Nucleophiles and electrophiles. Rate constants. Hammond and Curtin-Hammond principles. Driving force of the reactions. 8. Thermodynamics and kinetics - the tools to study chemical reactions. LFER. Hammett equation. Taft equation. QSAR. Kinetic isotope effects. Entropy vs. enthalpy. 9. Catalysis. Transition metal catalysis. Heterogeneous catalysis. Enzymatic catalysis. Brönsted catalysis. 10. Electron transfer. Marcus equation. 11. Photochemistry and photophysics. 12. Non-classical activation of chemical reactions. Spin chemistry. Magnetic field effects. Microwave chemistry. Sonochemistry.

Literature

required literature
• E. V. Anslyn, D. A. Dougherty: Modern Physical Organic Chemistry. University Science Books, Kausalito, California 2005. ISBN 1-891389-9

not specified
• O. Exner: Korelační vztahy v organické chemii. SNTL, Praha 1981
• O. Exner: Struktura a fyzikální vlastnosti organických sloučenin. SNTL, Praha 1985.
• I. Fleming: Hraniční orbitaly a reakce v organické chemii. SNTL, Praha 1983.
• F. A. Carey, R. J. Sundberg: Advanced Organic Chemistry, 3rd edition, Part A: Structure and Mechanisms. Plenum Press, New York, 1993.

Teaching methods

Lectures.

Assessment methods

1 written final test + oral exam.

Language of instruction

Czech

Follow-Up Courses

• C1020 General Chemistry
• C2021 Organic Chemistry I
• C3022 Organic Chemistry II/1
• C3140 Physical Chemistry I
• C4020 Physical Chemistry II

Further Comments

Study Materials
The course can also be completed outside the examination period.
The course is taught annually.

Listed among pre-requisites of other courses

• C4450 Organic Chemistry III - synthesis
  (C3022||C3050)&&C5500&&C7410  
• C7415 Structure and Reactivity - seminar
  NOW(C7410)  
• C8500 Mechanisms of Organic Reactions
  C7410&&NOW(C8510)  
• C8510 Mechanisms of Organic Reactions - seminar
  C7410&&NOW(C8500)  

C7410 Structure and Reactivity

Extent and Intensity

2/0/0. 2 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: zk (examination). Other types of completion: k (colloquium).

Teacher(s)

prof. RNDr. Petr Klán, Ph.D. (lecturer)

Guaranteed by

prof. RNDr. Petr Klán, Ph.D.
Department of Chemistry – Chemistry Section – Faculty of Science
Contact Person: prof. RNDr. Petr Klán, Ph.D.

Timetable

Wed 9:00–10:50 A08/309

Prerequisites

(( C1020 General Chemistry && C2021 Organic Chemistry I && C3022 Organic Chemistry II &&( C4660 Basic Physical Chemistry || C3140 Physical Chemistry I || C3401 Physical Chemistry I )&&( C4020 Advanced Physical Chemistry || C4402 Physical Chemistry II ))&&NOW( C7415 Structure and Reactivity ))||SOUHLAS
organic chemistry, physical chemistry, physics

Course Enrolment Limitations

The course is also offered to the students of the fields other than those the course is directly associated with.

fields of study / plans the course is directly associated with

there are 14 fields of study the course is directly associated with, display

Course objectives

The main objective of the course is to provide an information about the relationship between the structure of organic compounds and their chemical reactivity. Different ways of chemical activation and the courses of the ractions are discussed.

Syllabus

• 1. Structure and reactivity relationship. Calibration points in chemistry. Inner parameters of the structure and its deformations. Physical properties caused by (a) geometry of nuclei, (b) electron density and its change. Activation and driving force of the chemical reactions. 2. Theory of molecular orbitals. Hückel approximation. 3. Stability of molecules. Thermodynamic additive calculations. Conformations of acyclic and cyclic hydrocarbons. Heteroatom effects. Hyperconjugation. Anomeric effect. 4. Aromaticity a antiaromaticity. Aromatic ions and dipoles. Aromaticity of the transition state in the pericyclic reactions. 5. Non-covalent interactions and solvent effects. Solutions. Hughes-Ingold principles. H-bonding. Hydrophobic effect. Molecular recognition. 6. Proton transfer. Acid-base equilibria. 7. Chemical kinetics and reactivity. HSAB. Nucleophiles and electrophiles. Rate constants. Hammond and Curtin-Hammond principles. Driving force of the reactions. 8. Thermodynamics and kinetics - the tools to study chemical reactions. LFER. Hammett equation. Taft equation. QSAR. Kinetic isotope effects. Entropy vs. enthalpy. 9. Catalysis. Transition metal catalysis. Heterogeneous catalysis. Enzymatic catalysis. Brönsted catalysis. 10. Electron transfer. Marcus equation. 11. Photochemistry and photophysics. 12. Non-classical activation of chemical reactions. Spin chemistry. Magnetic field effects. Microwave chemistry. Sonochemistry.

Literature

required literature
• E. V. Anslyn, D. A. Dougherty: Modern Physical Organic Chemistry. University Science Books, Kausalito, California 2005. ISBN 1-891389-9

not specified
• O. Exner: Korelační vztahy v organické chemii. SNTL, Praha 1981
• O. Exner: Struktura a fyzikální vlastnosti organických sloučenin. SNTL, Praha 1985.
• I. Fleming: Hraniční orbitaly a reakce v organické chemii. SNTL, Praha 1983.
• F. A. Carey, R. J. Sundberg: Advanced Organic Chemistry, 3rd edition, Part A: Structure and Mechanisms. Plenum Press, New York, 1993.

Teaching methods

Lectures.

Assessment methods

1 written final test + oral exam.

Language of instruction

Czech

Follow-Up Courses

• C1020 General Chemistry
• C2021 Organic Chemistry I
• C3022 Organic Chemistry II/1
• C3140 Physical Chemistry I
• C4020 Physical Chemistry II

Further Comments

The course can also be completed outside the examination period.
The course is taught annually.

Listed among pre-requisites of other courses

• C4450 Organic Chemistry III - synthesis
  (C3022||C3050)&&C5500&&C7410  
• C7415 Structure and Reactivity - seminar
  NOW(C7410)  
• C8500 Mechanisms of Organic Reactions
  C7410&&NOW(C8510)  
• C8510 Mechanisms of Organic Reactions - seminar
  C7410&&NOW(C8500)  

C7410 Structure and Reactivity

Extent and Intensity

2/0/0. 2 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: zk (examination). Other types of completion: k (colloquium).

Teacher(s)

prof. RNDr. Petr Klán, Ph.D. (lecturer)

Guaranteed by

prof. RNDr. Petr Klán, Ph.D.
Department of Chemistry – Chemistry Section – Faculty of Science
Contact Person: prof. RNDr. Petr Klán, Ph.D.

Timetable

Tue 9:00–10:50 A08/309

Prerequisites

(( C1020 General Chemistry && C2021 Organic Chemistry I && C3022 Organic Chemistry II &&( C4660 Basic Physical Chemistry || C3140 Physical Chemistry I || C3401 Physical Chemistry I )&&( C4020 Advanced Physical Chemistry || C4402 Physical Chemistry II ))&&NOW( C7415 Structure and Reactivity ))||SOUHLAS
organic chemistry, physical chemistry, physics

Course Enrolment Limitations

The course is also offered to the students of the fields other than those the course is directly associated with.

fields of study / plans the course is directly associated with

there are 14 fields of study the course is directly associated with, display

Course objectives

The main objective of the course is to provide an information about the relationship between the structure of organic compounds and their chemical reactivity. Different ways of chemical activation and the courses of the ractions are discussed.

Syllabus

• 1. Structure and reactivity relationship. Calibration points in chemistry. Inner parameters of the structure and its deformations. Physical properties caused by (a) geometry of nuclei, (b) electron density and its change. Activation and driving force of the chemical reactions. 2. Stability of molecules. Thermodynamic additive calculations. Conformations of acyclic and cyclic hydrocarbons. Heteroatom effects. Hyperconjugation. Anomeric effect. 3. Aromaticity a antiaromaticity. Aromatic ions and dipoles. Aromaticity of the transition state in the pericyclic reactions. 4. Non-covalent interactions and solvent effects. Solutions. Hughes-Ingold principles. H-bonding. Hydrophobic effect. Molecular recognition. 5. Proton transfer. Acid-base equilibria. 6. Chemical kinetics and reactivity. HSAB. Nucleophiles and electrophiles. Rate constants. Hammond and Curtin-Hammond principles. Driving force of the reactions. 7. Thermodynamics and kinetics - the tools to study chemical reactions. LFER. Hammett equation. Taft equation. QSAR. Kinetic isotope effects. Entropy vs. enthalpy. 8. Catalysis. Transition metal catalysis. Heterogeneous catalysis. Enzymatic catalysis. Brönsted catalysis. 9. Electron transfer. Marcus equation. 10. Photochemistry and photophysics. 11. Spin chemistry. Magnetic field effects. 12. Non-classical activation of chemical reactions.

Literature

• E. V. Anslyn, D. A. Dougherty: Modern Physical Organic Chemistry. University Science Books, Kausalito, California 2005. ISBN 1-891389-9
• O. Exner: Korelační vztahy v organické chemii. SNTL, Praha 1981
• O. Exner: Struktura a fyzikální vlastnosti organických sloučenin. SNTL, Praha 1985.
• I. Fleming: Hraniční orbitaly a reakce v organické chemii. SNTL, Praha 1983.
• F. A. Carey, R. J. Sundberg: Advanced Organic Chemistry, 3rd edition, Part A: Structure and Mechanisms. Plenum Press, New York, 1993.

Teaching methods

Lectures.

Assessment methods

1 written final test + oral exam.

Language of instruction

Czech

Follow-Up Courses

• C1020 General Chemistry
• C2021 Organic Chemistry I
• C3022 Organic Chemistry II/1
• C3140 Physical Chemistry I
• C4020 Physical Chemistry II

Further Comments

Study Materials
The course can also be completed outside the examination period.
The course is taught annually.

Listed among pre-requisites of other courses

• C4450 Organic Chemistry III - synthesis
  (C3022||C3050)&&C5500&&C7410  
• C7415 Structure and Reactivity - seminar
  NOW(C7410)  
• C8500 Mechanisms of Organic Reactions
  C7410&&NOW(C8510)  
• C8510 Mechanisms of Organic Reactions - seminar
  C7410&&NOW(C8500)  

C7410 Structure and Reactivity

Extent and Intensity

2/0/0. 2 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: zk (examination). Other types of completion: k (colloquium).

Teacher(s)

prof. RNDr. Petr Klán, Ph.D. (lecturer)

Guaranteed by

prof. RNDr. Petr Klán, Ph.D.
Department of Chemistry – Chemistry Section – Faculty of Science
Contact Person: prof. RNDr. Petr Klán, Ph.D.

Timetable

Mon 8:00–9:50 C12/311

Prerequisites

(( C1020 General Chemistry && C2021 Organic Chemistry I && C3022 Organic Chemistry II &&( C4660 Basic Physical Chemistry || C3140 Physical Chemistry I || C3401 Physical Chemistry I )&&( C4020 Advanced Physical Chemistry || C4402 Physical Chemistry II ))&&NOW( C7415 Structure and Reactivity ))||SOUHLAS
organic chemistry, physical chemistry, physics

Course Enrolment Limitations

The course is also offered to the students of the fields other than those the course is directly associated with.

fields of study / plans the course is directly associated with

there are 14 fields of study the course is directly associated with, display

Course objectives

The main objective of the course is to provide an information about the relationship between the structure of organic compounds and their chemical reactivity. Different ways of chemical activation and the courses of the ractions are discussed.

Syllabus

• 1. Structure and reactivity relationship. Calibration points in chemistry. Inner parameters of the structure and its deformations. Physical properties caused by (a) geometry of nuclei, (b) electron density and its change. Activation and driving force of the chemical reactions. 2. Stability of molecules. Thermodynamic additive calculations. Conformations of acyclic and cyclic hydrocarbons. Heteroatom effects. Hyperconjugation. Anomeric effect. 3. Aromaticity a antiaromaticity. Aromatic ions and dipoles. Aromaticity of the transition state in the pericyclic reactions. 4. Non-covalent interactions and solvent effects. Solutions. Hughes-Ingold principles. H-bonding. Hydrophobic effect. Molecular recognition. 5. Proton transfer. Acid-base equilibria. 6. Chemical kinetics and reactivity. HSAB. Nucleophiles and electrophiles. Rate constants. Hammond and Curtin-Hammond principles. Driving force of the reactions. 7. Thermodynamics and kinetics - the tools to study chemical reactions. LFER. Hammett equation. Taft equation. QSAR. Kinetic isotope effects. Entropy vs. enthalpy. 8. Catalysis. Transition metal catalysis. Heterogeneous catalysis. Enzymatic catalysis. Brönsted catalysis. 9. Electron transfer. Marcus equation. 10. Photochemistry and photophysics. 11. Spin chemistry. Magnetic field effects. 12. Non-classical activation of chemical reactions.

Literature

• E. V. Anslyn, D. A. Dougherty: Modern Physical Organic Chemistry. University Science Books, Kausalito, California 2005. ISBN 1-891389-9
• O. Exner: Korelační vztahy v organické chemii. SNTL, Praha 1981
• O. Exner: Struktura a fyzikální vlastnosti organických sloučenin. SNTL, Praha 1985.
• I. Fleming: Hraniční orbitaly a reakce v organické chemii. SNTL, Praha 1983.
• F. A. Carey, R. J. Sundberg: Advanced Organic Chemistry, 3rd edition, Part A: Structure and Mechanisms. Plenum Press, New York, 1993.

Assessment methods

1 written final test + oral exam.

Language of instruction

Czech

Follow-Up Courses

• C1020 General Chemistry
• C2021 Organic Chemistry I
• C3022 Organic Chemistry II/1
• C3140 Physical Chemistry I
• C4020 Physical Chemistry II

Further Comments

The course can also be completed outside the examination period.
The course is taught annually.

Listed among pre-requisites of other courses

• C4450 Organic Chemistry III - synthesis
  (C3022||C3050)&&C5500&&C7410  
• C7415 Structure and Reactivity - seminar
  NOW(C7410)  
• C8500 Mechanisms of Organic Reactions
  C7410&&NOW(C8510)  
• C8510 Mechanisms of Organic Reactions - seminar
  C7410&&NOW(C8500)  

C7410 Structure and Reactivity

Extent and Intensity

2/0/0. 2 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: zk (examination). Other types of completion: k (colloquium).

Teacher(s)

prof. RNDr. Petr Klán, Ph.D. (lecturer)

Guaranteed by

prof. RNDr. Petr Klán, Ph.D.
Department of Chemistry – Chemistry Section – Faculty of Science
Contact Person: prof. RNDr. Petr Klán, Ph.D.

Timetable

Mon 9:00–10:50 A08/309

Prerequisites

(( C1020 General Chemistry && C2021 Organic Chemistry I && C3022 Organic Chemistry II &&( C4660 Basic Physical Chemistry || C3140 Physical Chemistry I || C3401 Physical Chemistry I )&&( C4020 Advanced Physical Chemistry || C4402 Physical Chemistry II ))&&NOW( C7415 Structure and Reactivity ))||SOUHLAS
organic chemistry, physical chemistry, physics

Course Enrolment Limitations

The course is also offered to the students of the fields other than those the course is directly associated with.

fields of study / plans the course is directly associated with

there are 14 fields of study the course is directly associated with, display

Course objectives

This course provides an information about the relationship between the structure of organic compounds and their reactivity. Different ways of chemical activation and the courses of the ractions are discussed.

Syllabus

• 1. Structure and reactivity relationship. Calibration points in chemistry. Inner parameters of the structure and its deformations. Physical properties caused by (a) geometry of nuclei, (b) electron density and its change. Activation and driving force of the chemical reactions. 2. Stability of molecules. Thermodynamic additive calculations. Conformations of acyclic and cyclic hydrocarbons. Heteroatom effects. Hyperconjugation. Anomeric effect. 3. Aromaticity a antiaromaticity. Aromatic ions and dipoles. Aromaticity of the transition state in the pericyclic reactions. 4. Non-covalent interactions and solvent effects. Solutions. Hughes-Ingold principles. H-bonding. Hydrophobic effect. Molecular recognition. 5. Proton transfer. Acid-base equilibria. 6. Chemical kinetics and reactivity. HSAB. Nucleophiles and electrophiles. Rate constants. Hammond and Curtin-Hammond principles. Driving force of the reactions. 7. Thermodynamics and kinetics - the tools to study chemical reactions. LFER. Hammett equation. Taft equation. QSAR. Kinetic isotope effects. Entropy vs. enthalpy. 8. Catalysis. Transition metal catalysis. Heterogeneous catalysis. Enzymatic catalysis. Brönsted catalysis. 9. Electron transfer. Marcus equation. 10. Photochemistry and photophysics. 11. Spin chemistry. Magnetic field effects. 12. Non-classical activation of chemical reactions.

Literature

• E. V. Anslyn, D. A. Dougherty: Modern Physical Organic Chemistry. University Science Books, Kausalito, California 2005. ISBN 1-891389-9
• O. Exner: Korelační vztahy v organické chemii. SNTL, Praha 1981
• O. Exner: Struktura a fyzikální vlastnosti organických sloučenin. SNTL, Praha 1985.
• I. Fleming: Hraniční orbitaly a reakce v organické chemii. SNTL, Praha 1983.
• F. A. Carey, R. J. Sundberg: Advanced Organic Chemistry, 3rd edition, Part A: Structure and Mechanisms. Plenum Press, New York, 1993.

Language of instruction

Czech

Follow-Up Courses

• C1020 General Chemistry
• C2021 Organic Chemistry I
• C3022 Organic Chemistry II/1
• C3140 Physical Chemistry I
• C4020 Physical Chemistry II

Further Comments

The course can also be completed outside the examination period.
The course is taught annually.

Listed among pre-requisites of other courses

• C4450 Organic Chemistry III - synthesis
  (C3022||C3050)&&C5500&&C7410  
• C7415 Structure and Reactivity - seminar
  NOW(C7410)  
• C8500 Mechanisms of Organic Reactions
  C7410&&NOW(C8510)  
• C8510 Mechanisms of Organic Reactions - seminar
  C7410&&NOW(C8500)  

C7410 Structure and Reactivity

Extent and Intensity

2/0/0. 2 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: zk (examination). Other types of completion: k (colloquium).

Teacher(s)

prof. RNDr. Petr Klán, Ph.D. (lecturer)

Guaranteed by

prof. RNDr. Petr Klán, Ph.D.
Department of Chemistry – Chemistry Section – Faculty of Science
Contact Person: prof. RNDr. Petr Klán, Ph.D.

Timetable

Mon 9:00–10:50 03021

Prerequisites

(( C1020 General Chemistry && C2021 Organic Chemistry I && C3022 Organic Chemistry II &&( C4660 Basic Physical Chemistry || C3140 Physical Chemistry I || C3401 Physical Chemistry I )&&( C4020 Advanced Physical Chemistry || C4402 Physical Chemistry II ))&&NOW( C7415 Structure and Reactivity ))||SOUHLAS
organic chemistry, physical chemistry, physics

Course Enrolment Limitations

The course is also offered to the students of the fields other than those the course is directly associated with.

fields of study / plans the course is directly associated with

there are 14 fields of study the course is directly associated with, display

Course objectives

This course provides an information about the relationship between the structure of organic compounds and their reactivity. Different ways of chemical activation and the courses of the ractions are discussed.

Syllabus

• 1. Structure and reactivity relationship. Calibration points in chemistry. Inner parameters of the structure and its deformations. Physical properties caused by (a) geometry of nuclei, (b) electron density and its change. Activation and driving force of the chemical reactions. 2. Stability of molecules. Thermodynamic additive calculations. Conformations of acyclic and cyclic hydrocarbons. Heteroatom effects. Hyperconjugation. Anomeric effect. 3. Aromaticity a antiaromaticity. Aromatic ions and dipoles. Aromaticity of the transition state in the pericyclic reactions. 4. Non-covalent interactions and solvent effects. Solutions. Hughes-Ingold principles. H-bonding. Hydrophobic effect. Molecular recognition. 5. Proton transfer. Acid-base equilibria. 6. Chemical kinetics and reactivity. HSAB. Nucleophiles and electrophiles. Rate constants. Hammond and Curtin-Hammond principles. Driving force of the reactions. 7. Thermodynamics and kinetics - the tools to study chemical reactions. LFER. Hammett equation. Taft equation. QSAR. Kinetic isotope effects. Entropy vs. enthalpy. 8. Catalysis. Transition metal catalysis. Heterogeneous catalysis. Enzymatic catalysis. Brönsted catalysis. 9. Electron transfer. Marcus equation. 10. Photochemistry and photophysics. 11. Spin chemistry. Magnetic field effects. 12. Non-classical activation of chemical reactions.

Literature

• E. V. Anslyn, D. A. Dougherty: Modern Physical Organic Chemistry. University Science Books, Kausalito, California 2005. ISBN 1-891389-9
• O. Exner: Korelační vztahy v organické chemii. SNTL, Praha 1981
• O. Exner: Struktura a fyzikální vlastnosti organických sloučenin. SNTL, Praha 1985.
• I. Fleming: Hraniční orbitaly a reakce v organické chemii. SNTL, Praha 1983.
• F. A. Carey, R. J. Sundberg: Advanced Organic Chemistry, 3rd edition, Part A: Structure and Mechanisms. Plenum Press, New York, 1993.

Language of instruction

Czech

Follow-Up Courses

• C1020 General Chemistry
• C2021 Organic Chemistry I
• C3022 Organic Chemistry II/1
• C3140 Physical Chemistry I
• C4020 Physical Chemistry II

Further Comments

The course can also be completed outside the examination period.
The course is taught annually.

Listed among pre-requisites of other courses

• C4450 Organic Chemistry III - synthesis
  (C3022||C3050)&&C5500&&C7410  
• C7415 Structure and Reactivity - seminar
  NOW(C7410)  
• C8500 Mechanisms of Organic Reactions
  C7410&&NOW(C8510)  
• C8510 Mechanisms of Organic Reactions - seminar
  C7410&&NOW(C8500)  

C7410 Structure and Reactivity

Extent and Intensity

2/0/0. 2 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: zk (examination). Other types of completion: k (colloquium).

Teacher(s)

prof. RNDr. Petr Klán, Ph.D. (lecturer)

Guaranteed by

prof. RNDr. Petr Klán, Ph.D.
Chemistry Section – Faculty of Science
Contact Person: prof. RNDr. Petr Klán, Ph.D.

Timetable

Tue 10:00–11:50 03021

Prerequisites

C8500 Organic Reaction Mechanisms ||SOUHLAS
organic chemistry, physical chemistry, physics

Course Enrolment Limitations

The course is also offered to the students of the fields other than those the course is directly associated with.

fields of study / plans the course is directly associated with

there are 14 fields of study the course is directly associated with, display

Course objectives

This course provides an information about the relationship between the structure of organic compounds and their reactivity. Different ways of chemical activation and the courses of the ractions are discussed.

Syllabus

• 1. Structure and reactivity relationship. Calibration points in chemistry. Inner parameters of the structure and its deformations. Physical properties caused by (a) geometry of nuclei, (b) electron density and its change. Activation and driving force of the chemical reactions. 2. Stability of molecules. Thermodynamic additive calculations. Conformations of acyclic and cyclic hydrocarbons. Heteroatom effects. Hyperconjugation. Anomeric effect. 3. Aromaticity a antiaromaticity. Aromatic ions and dipoles. Aromaticity of the transition state in the pericyclic reactions. 4. Non-covalent interactions and solvent effects. Solutions. Hughes-Ingold principles. H-bonding. Hydrophobic effect. Molecular recognition. 5. Proton transfer. Acid-base equilibria. 6. Chemical kinetics and reactivity. HSAB. Nucleophiles and electrophiles. Rate constants. Hammond and Curtin-Hammond principles. Driving force of the reactions. 7. Thermodynamics and kinetics - the tools to study chemical reactions. LFER. Hammett equation. Taft equation. QSAR. Kinetic isotope effects. Entropy vs. enthalpy. 8. Catalysis. Transition metal catalysis. Heterogeneous catalysis. Enzymatic catalysis. Brönsted catalysis. 9. Electron transfer. Marcus equation. 10. Photochemistry and photophysics. 11. Spin chemistry. Magnetic field effects. 12. Non-classical activation of chemical reactions.

Literature

• E. V. Anslyn, D. A. Dougherty: Modern Physical Organic Chemistry. University Science Books, Kausalito, California 2005. ISBN 1-891389-9
• O. Exner: Korelační vztahy v organické chemii. SNTL, Praha 1981
• O. Exner: Struktura a fyzikální vlastnosti organických sloučenin. SNTL, Praha 1985.
• I. Fleming: Hraniční orbitaly a reakce v organické chemii. SNTL, Praha 1983.
• F. A. Carey, R. J. Sundberg: Advanced Organic Chemistry, 3rd edition, Part A: Structure and Mechanisms. Plenum Press, New York, 1993.

Language of instruction

Czech

Follow-Up Courses

• C1020 General Chemistry
• C2021 Organic Chemistry I
• C3022 Organic Chemistry II/1
• C3140 Physical Chemistry I
• C4020 Physical Chemistry II

Further Comments

The course can also be completed outside the examination period.
The course is taught annually.

Listed among pre-requisites of other courses

• C4450 Organic Chemistry III - synthesis
  (C3022||C3050)&&C5500&&C7410  
• C7415 Structure and Reactivity - seminar
  NOW(C7410)  
• C8500 Mechanisms of Organic Reactions
  C7410&&NOW(C8510)  
• C8510 Mechanisms of Organic Reactions - seminar
  C7410&&NOW(C8500)  

C7410 Structure and Reactivity

Extent and Intensity

2/0/0. 2 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: zk (examination). Other types of completion: k (colloquium).

Teacher(s)

prof. RNDr. Petr Klán, Ph.D. (lecturer)

Guaranteed by

prof. RNDr. Petr Klán, Ph.D.
Chemistry Section – Faculty of Science
Contact Person: prof. RNDr. Petr Klán, Ph.D.

Timetable

Mon 14:00–15:50 03021

Prerequisites

organic chemistry, physical chemistry, physics

Course Enrolment Limitations

The course is also offered to the students of the fields other than those the course is directly associated with.

fields of study / plans the course is directly associated with

there are 16 fields of study the course is directly associated with, display

Course objectives

This course provides an information about the relationship between the structure of organic compounds and their reactivity. Different ways of chemical activation and the courses of the ractions are discussed.

Syllabus

• 1. Structure and reactivity relationship. Calibration points in chemistry. Inner parameters of the structure and its deformations. Physical properties caused by (a) geometry of nuclei, (b) electron density and its change. Activation and driving force of the chemical reactions. 2. Thermodynamics and kinetics. Thermochemical calculations. Transition state. Hammond and Curtin-Hammett principle. 3. Substituent effects. LFER. Hammett and Taft equation. QSAR. Hyperconjugation. Isotope effects. 4. Dynamic effects. Conformations. The relationship between the cyclization rate constants and the size of the ring. 5. Aromaticity a antiaromaticity. Aromatic ions and dipoles. Aromaticity of the transition state in the pericyclic reactions. 6. Solvent effects. 7. Acids and bases. 8. Ions and radicals. 9. Electron transfer. Marcus equation. 10. Catalysis. Transition metal catalysis. 11. Photochemistry and photophysics. 12. Spin chemistry. Magnetic field effects. 13. Non-classical activation of chemical reactions. 14. Reactive intermediates. Laser flash spectroscopy.

Literature

• I. Fleming: Hraniční orbitaly a reakce v organické chemii. SNTL, Praha 1983.
• O. Exner: Korelační vztahy v organické chemii. SNTL, Praha 1981
• O. Exner: Struktura a fyzikální vlastnosti organických sloučenin. SNTL, Praha 1985.
• F. A. Carey, R. J. Sundberg: Advanced Organic Chemistry, 3rd edition, Part A: Structure and Mechanisms. Plenum Press, New York, 1993.

Language of instruction

Czech

Follow-Up Courses

• C1020 General Chemistry
• C2021 Organic Chemistry I
• C3022 Organic Chemistry II/1
• C3140 Physical Chemistry I
• C4020 Physical Chemistry II

Further Comments

The course can also be completed outside the examination period.
The course is taught annually.

Listed among pre-requisites of other courses

• C4450 Organic Chemistry III - synthesis
  (C3022||C3050)&&C5500&&C7410  
• C7415 Structure and Reactivity - seminar
  NOW(C7410)  
• C8500 Mechanisms of Organic Reactions
  C7410&&NOW(C8510)  
• C8510 Mechanisms of Organic Reactions - seminar
  C7410&&NOW(C8500)  

Teacher's information

https://is.muni.cz/auth/el/1431/podzim2004/C7410/

C7410 Structure and Reactivity

Extent and Intensity

2/0/0. 2 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: zk (examination). Other types of completion: k (colloquium).

Teacher(s)

prof. RNDr. Petr Klán, Ph.D. (lecturer)

Guaranteed by

prof. RNDr. Petr Klán, Ph.D.
Chemistry Section – Faculty of Science
Contact Person: prof. RNDr. Petr Klán, Ph.D.

Prerequisites

organic chemistry, physical chemistry, physics

Course Enrolment Limitations

The course is also offered to the students of the fields other than those the course is directly associated with.

fields of study / plans the course is directly associated with

there are 16 fields of study the course is directly associated with, display

Course objectives

This course provides an information about the relationship between the structure of organic compounds and their reactivity. Different ways of chemical activation and the courses of the ractions are discussed.

Syllabus

• 1. Structure and reactivity relationship. Calibration points in chemistry. Inner parameters of the structure and its deformations. Physical properties caused by (a) geometry of nuclei, (b) electron density and its change. Activation and driving force of the chemical reactions. 2. Thermodynamics and kinetics. Thermochemical calculations. Transition state. Hammond and Curtin-Hammett principle. 3. Substituent effects. LFER. Hammett and Taft equation. QSAR. Hyperconjugation. Isotope effects. 4. Dynamic effects. Conformations. The relationship between the cyclization rate constants and the size of the ring. 5. Aromaticity a antiaromaticity. Aromatic ions and dipoles. Aromaticity of the transition state in the pericyclic reactions. 6. Solvent effects. 7. Acids and bases. 8. Ions and radicals. 9. Electron transfer. Marcus equation. 10. Catalysis. Transition metal catalysis. 11. Photochemistry and photophysics. 12. Spin chemistry. Magnetic field effects. 13. Non-classical activation of chemical reactions. 14. Reactive intermediates. Laser flash spectroscopy.

Literature

• I. Fleming: Hraniční orbitaly a reakce v organické chemii. SNTL, Praha 1983.
• O. Exner: Korelační vztahy v organické chemii. SNTL, Praha 1981
• O. Exner: Struktura a fyzikální vlastnosti organických sloučenin. SNTL, Praha 1985.
• F. A. Carey, R. J. Sundberg: Advanced Organic Chemistry, 3rd edition, Part A: Structure and Mechanisms. Plenum Press, New York, 1993.

Language of instruction

Czech

Follow-Up Courses

• C1020 General Chemistry
• C2021 Organic Chemistry I
• C3022 Organic Chemistry II/1
• C3140 Physical Chemistry I
• C4020 Physical Chemistry II

Further Comments

The course can also be completed outside the examination period.
The course is taught annually.
The course is taught: every week.

Listed among pre-requisites of other courses

• C4450 Organic Chemistry III - synthesis
  (C3022||C3050)&&C5500&&C7410  
• C7415 Structure and Reactivity - seminar
  NOW(C7410)  
• C8500 Mechanisms of Organic Reactions
  C7410&&NOW(C8510)  
• C8510 Mechanisms of Organic Reactions - seminar
  C7410&&NOW(C8500)  

C7410 Structure and Reactivity

Extent and Intensity

2/0/0. 2 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: zk (examination). Other types of completion: k (colloquium).

Teacher(s)

prof. RNDr. Petr Klán, Ph.D. (lecturer)

Guaranteed by

prof. RNDr. Petr Klán, Ph.D.
Chemistry Section – Faculty of Science
Contact Person: prof. RNDr. Petr Klán, Ph.D.

Prerequisites

organic chemistry, physical chemistry, physics

Course Enrolment Limitations

The course is also offered to the students of the fields other than those the course is directly associated with.

fields of study / plans the course is directly associated with

there are 16 fields of study the course is directly associated with, display

Course objectives

This course provides an information about the relationship between the structure of organic compounds and their reactivity. Different ways of chemical activation and the courses of the ractions are discussed.

Syllabus

• 1. Structure and reactivity relationship. Calibration points in chemistry. Inner parameters of the structure and its deformations. Physical properties caused by (a) geometry of nuclei, (b) electron density and its change. Activation and driving force of the chemical reactions. 2. Thermodynamics and kinetics. Thermochemical calculations. Transition state. Hammond and Curtin-Hammett principle. 3. Substituent effects. LFER. Hammett and Taft equation. QSAR. Hyperconjugation. Isotope effects. 4. Dynamic effects. Conformations. The relationship between the cyclization rate constants and the size of the ring. 5. Aromaticity a antiaromaticity. Aromatic ions and dipoles. Aromaticity of the transition state in the pericyclic reactions. 6. Solvent effects. 7. Acids and bases. 8. Ions and radicals. 9. Electron transfer. Marcus equation. 10. Catalysis. Transition metal catalysis. 11. Photochemistry and photophysics. 12. Spin chemistry. Magnetic field effects. 13. Non-classical activation of chemical reactions. 14. Reactive intermediates. Laser flash spectroscopy.

Literature

• I. Fleming: Hraniční orbitaly a reakce v organické chemii. SNTL, Praha 1983.
• O. Exner: Korelační vztahy v organické chemii. SNTL, Praha 1981
• O. Exner: Struktura a fyzikální vlastnosti organických sloučenin. SNTL, Praha 1985.
• F. A. Carey, R. J. Sundberg: Advanced Organic Chemistry, 3rd edition, Part A: Structure and Mechanisms. Plenum Press, New York, 1993.

Language of instruction

Czech

Follow-Up Courses

• C1020 General Chemistry
• C2021 Organic Chemistry I
• C3022 Organic Chemistry II/1
• C3140 Physical Chemistry I
• C4020 Physical Chemistry II

Further Comments

The course can also be completed outside the examination period.
The course is taught annually.
The course is taught: every week.

Listed among pre-requisites of other courses

• C4450 Organic Chemistry III - synthesis
  (C3022||C3050)&&C5500&&C7410  
• C7415 Structure and Reactivity - seminar
  NOW(C7410)  
• C8500 Mechanisms of Organic Reactions
  C7410&&NOW(C8510)  
• C8510 Mechanisms of Organic Reactions - seminar
  C7410&&NOW(C8500)  

C7410 Structure and Reactivity I

Extent and Intensity

2/0/0. 3 credit(s). Recommended Type of Completion: zk (examination). Other types of completion: k (colloquium).

Teacher(s)

prof. RNDr. Petr Klán, Ph.D. (lecturer)

Guaranteed by

prof. RNDr. Petr Klán, Ph.D.
Chemistry Section – Faculty of Science

Prerequisites

organic chemistry, physical chemistry, physics

Course Enrolment Limitations

The course is also offered to the students of the fields other than those the course is directly associated with.

fields of study / plans the course is directly associated with

there are 16 fields of study the course is directly associated with, display

Course objectives

This course provides an information about the relationship between the structure of organic compounds and their reactivity. Different ways of chemical activation and the courses of the ractions are discussed.

Syllabus

• 1. Structure and reactivity relationship. Calibration points in chemistry. Inner parameters of the structure and its deformations. Physical properties caused by (a) geometry of nuclei, (b) electron density and its change. Activation and driving force of the chemical reactions. 2. Thermodynamics and kinetics. Thermochemical calculations. Transition state. Hammond and Curtin-Hammett principle. 3. Substituent effects. LFER. Hammett and Taft equation. QSAR. Hyperconjugation. Isotope effects. 4. Dynamic effects. Conformations. The relationship between the cyclization rate constants and the size of the ring. 5. Aromaticity a antiaromaticity. Aromatic ions and dipoles. Aromaticity of the transition state in the pericyclic reactions. 6. Solvent effects. 7. Acids and bases. 8. Ions and radicals. 9. Electron transfer. Marcus equation. 10. Catalysis. Transition metal catalysis. 11. Photochemistry and photophysics. 12. Spin chemistry. Magnetic field effects. 13. Non-classical activation of chemical reactions. 14. Reactive intermediates. Laser flash spectroscopy.

Literature

• I. Fleming: Hraniční orbitaly a reakce v organické chemii. SNTL, Praha 1983.
• O. Exner: Korelační vztahy v organické chemii. SNTL, Praha 1981
• O. Exner: Struktura a fyzikální vlastnosti organických sloučenin. SNTL, Praha 1985.
• F. A. Carey, R. J. Sundberg: Advanced Organic Chemistry, 3rd edition, Part A: Structure and Mechanisms. Plenum Press, New York, 1993.

Language of instruction

Czech

Follow-Up Courses

• C1020 General Chemistry
• C2021 Organic Chemistry I
• C3022 Organic Chemistry II/1
• C3140 Physical Chemistry I
• C4020 Physical Chemistry II

Further Comments

The course can also be completed outside the examination period.
The course is taught annually.
The course is taught: every week.

Listed among pre-requisites of other courses

• C4450 Organic Chemistry III - synthesis
  (C3022||C3050)&&C5500&&C7410  
• C7415 Structure and Reactivity - seminar
  NOW(C7410)  
• C8500 Mechanisms of Organic Reactions
  C7410&&NOW(C8510)  
• C8510 Mechanisms of Organic Reactions - seminar
  C7410&&NOW(C8500)  

C7410 Structure and Reactivity I

Extent and Intensity

2/0/0. 3 credit(s). Recommended Type of Completion: zk (examination). Other types of completion: k (colloquium).

Teacher(s)

prof. RNDr. Jaroslav Jonas, CSc. (lecturer)

Guaranteed by

prof. RNDr. Jaroslav Jonas, CSc.
Chemistry Section – Faculty of Science

Course Enrolment Limitations

The course is also offered to the students of the fields other than those the course is directly associated with.

fields of study / plans the course is directly associated with

there are 16 fields of study the course is directly associated with, display

Course objectives

Inner molecular coordinates, their deformation and limits thereof. Aromaticity and antiaromaticity. Interaction within molecules, separation into individual effects and attempts at kvantification. LFER and their application. Intermolecular interactions. Supramolecular chemistry-molecular recognition in aqueous solution. Aditivity rules for estimation of thermochemical properties. Statistical corrections - symmetry corrections of entropy. Acid-base equilibria in aqueous solutions, in nonaqueous solvent and in the gas phase. Non-kinetic and kinetic methods for determination of organic reaction mechanism.

Language of instruction

Czech

Further Comments

The course can also be completed outside the examination period.
The course is taught annually.
The course is taught: every week.

Listed among pre-requisites of other courses

• C4450 Organic Chemistry III - synthesis
  (C3022||C3050)&&C5500&&C7410  
• C7415 Structure and Reactivity - seminar
  NOW(C7410)  
• C8500 Mechanisms of Organic Reactions
  C7410&&NOW(C8510)  
• C8510 Mechanisms of Organic Reactions - seminar
  C7410&&NOW(C8500)  

C7410 Structure and Reactivity I

Extent and Intensity

2/1/0. 5 credit(s). Type of Completion: zk (examination).

Teacher(s)

prof. RNDr. Jaroslav Jonas, CSc. (lecturer)

Guaranteed by

prof. RNDr. Jaroslav Jonas, CSc.
Chemistry Section – Faculty of Science

Course Enrolment Limitations

The course is also offered to the students of the fields other than those the course is directly associated with.

fields of study / plans the course is directly associated with

there are 16 fields of study the course is directly associated with, display

Syllabus

• Inner molecular coordinates, their deformation and limits thereof. Aromaticity and antiaromaticity. Interaction within molecules, separation into individual effects and attempts at kvantification. LFER and their application. Intermolecular interactions. Supramolecular chemistry-molecular recognition in aqueous solution. Aditivity rules for estimation of thermochemical properties. Statistical corrections - symmetry corrections of entropy. Acid-base equilibria in aqueous solutions, in nonaqueous solvent and in the gas phase. Non-kinetic and kinetic methods for determination of organic reaction mechanism.

Language of instruction

Czech

Further Comments

The course is taught annually.
The course is taught: every week.

Listed among pre-requisites of other courses

• C4450 Organic Chemistry III - synthesis
  (C3022||C3050)&&C5500&&C7410  
• C7415 Structure and Reactivity - seminar
  NOW(C7410)  
• C8500 Mechanisms of Organic Reactions
  C7410&&NOW(C8510)  
• C8510 Mechanisms of Organic Reactions - seminar
  C7410&&NOW(C8500)  

C7410 Structure and Reactivity

The information about the term Autumn 2011 - acreditation is not made public

Extent and Intensity

2/0/0. 2 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: zk (examination). Other types of completion: k (colloquium).

Teacher(s)

prof. RNDr. Petr Klán, Ph.D. (lecturer)

Guaranteed by

prof. RNDr. Petr Klán, Ph.D.
Department of Chemistry – Chemistry Section – Faculty of Science
Contact Person: prof. RNDr. Petr Klán, Ph.D.

Prerequisites

(( C1020 General Chemistry && C2021 Organic Chemistry I && C3022 Organic Chemistry II &&( C4660 Basic Physical Chemistry || C3140 Physical Chemistry I || C3401 Physical Chemistry I )&&( C4020 Advanced Physical Chemistry || C4402 Physical Chemistry II ))&&NOW( C7415 Structure and Reactivity ))||SOUHLAS
organic chemistry, physical chemistry, physics

Course Enrolment Limitations

The course is also offered to the students of the fields other than those the course is directly associated with.

fields of study / plans the course is directly associated with

there are 14 fields of study the course is directly associated with, display

Course objectives

The main objective of the course is to provide an information about the relationship between the structure of organic compounds and their chemical reactivity. Different ways of chemical activation and the courses of the ractions are discussed.

Syllabus

• 1. Structure and reactivity relationship. Calibration points in chemistry. Inner parameters of the structure and its deformations. Physical properties caused by (a) geometry of nuclei, (b) electron density and its change. Activation and driving force of the chemical reactions. 2. Theory of molecular orbitals. Hückel approximation. 3. Stability of molecules. Thermodynamic additive calculations. Conformations of acyclic and cyclic hydrocarbons. Heteroatom effects. Hyperconjugation. Anomeric effect. 4. Aromaticity a antiaromaticity. Aromatic ions and dipoles. Aromaticity of the transition state in the pericyclic reactions. 5. Non-covalent interactions and solvent effects. Solutions. Hughes-Ingold principles. H-bonding. Hydrophobic effect. Molecular recognition. 6. Proton transfer. Acid-base equilibria. 7. Chemical kinetics and reactivity. HSAB. Nucleophiles and electrophiles. Rate constants. Hammond and Curtin-Hammond principles. Driving force of the reactions. 8. Thermodynamics and kinetics - the tools to study chemical reactions. LFER. Hammett equation. Taft equation. QSAR. Kinetic isotope effects. Entropy vs. enthalpy. 9. Catalysis. Transition metal catalysis. Heterogeneous catalysis. Enzymatic catalysis. Brönsted catalysis. 10. Electron transfer. Marcus equation. 11. Photochemistry and photophysics. 12. Non-classical activation of chemical reactions. Spin chemistry. Magnetic field effects. Microwave chemistry. Sonochemistry.

Literature

required literature
• E. V. Anslyn, D. A. Dougherty: Modern Physical Organic Chemistry. University Science Books, Kausalito, California 2005. ISBN 1-891389-9

not specified
• O. Exner: Korelační vztahy v organické chemii. SNTL, Praha 1981
• O. Exner: Struktura a fyzikální vlastnosti organických sloučenin. SNTL, Praha 1985.
• I. Fleming: Hraniční orbitaly a reakce v organické chemii. SNTL, Praha 1983.
• F. A. Carey, R. J. Sundberg: Advanced Organic Chemistry, 3rd edition, Part A: Structure and Mechanisms. Plenum Press, New York, 1993.

Teaching methods

Lectures.

Assessment methods

1 written final test + oral exam.

Language of instruction

Czech

Follow-Up Courses

• C1020 General Chemistry
• C2021 Organic Chemistry I
• C3022 Organic Chemistry II/1
• C3140 Physical Chemistry I
• C4020 Physical Chemistry II

Further Comments

The course can also be completed outside the examination period.
The course is taught annually.
The course is taught: every week.

Listed among pre-requisites of other courses

• C4450 Organic Chemistry III - synthesis
  (C3022||C3050)&&C5500&&C7410  
• C7415 Structure and Reactivity - seminar
  NOW(C7410)  
• C8500 Mechanisms of Organic Reactions
  C7410&&NOW(C8510)  
• C8510 Mechanisms of Organic Reactions - seminar
  C7410&&NOW(C8500)  

C7410 Structure and Reactivity

Extent and Intensity

2/0/0. 2 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: zk (examination). Other types of completion: k (colloquium).

Teacher(s)

prof. RNDr. Petr Klán, Ph.D. (lecturer)

Guaranteed by

prof. RNDr. Petr Klán, Ph.D.
Department of Chemistry – Chemistry Section – Faculty of Science
Contact Person: prof. RNDr. Petr Klán, Ph.D.

Prerequisites

(( C1020 General Chemistry && C2021 Organic Chemistry I && C3022 Organic Chemistry II &&( C4660 Basic Physical Chemistry || C3140 Physical Chemistry I || C3401 Physical Chemistry I )&&( C4020 Advanced Physical Chemistry || C4402 Physical Chemistry II ))&&NOW( C7415 Structure and Reactivity ))||SOUHLAS
organic chemistry, physical chemistry, physics

Course Enrolment Limitations

The course is also offered to the students of the fields other than those the course is directly associated with.

fields of study / plans the course is directly associated with

there are 14 fields of study the course is directly associated with, display

Course objectives

The main objective of the course is to provide an information about the relationship between the structure of organic compounds and their chemical reactivity. Different ways of chemical activation and the courses of the ractions are discussed.

Syllabus

• 1. Structure and reactivity relationship. Calibration points in chemistry. Inner parameters of the structure and its deformations. Physical properties caused by (a) geometry of nuclei, (b) electron density and its change. Activation and driving force of the chemical reactions. 2. Stability of molecules. Thermodynamic additive calculations. Conformations of acyclic and cyclic hydrocarbons. Heteroatom effects. Hyperconjugation. Anomeric effect. 3. Aromaticity a antiaromaticity. Aromatic ions and dipoles. Aromaticity of the transition state in the pericyclic reactions. 4. Non-covalent interactions and solvent effects. Solutions. Hughes-Ingold principles. H-bonding. Hydrophobic effect. Molecular recognition. 5. Proton transfer. Acid-base equilibria. 6. Chemical kinetics and reactivity. HSAB. Nucleophiles and electrophiles. Rate constants. Hammond and Curtin-Hammond principles. Driving force of the reactions. 7. Thermodynamics and kinetics - the tools to study chemical reactions. LFER. Hammett equation. Taft equation. QSAR. Kinetic isotope effects. Entropy vs. enthalpy. 8. Catalysis. Transition metal catalysis. Heterogeneous catalysis. Enzymatic catalysis. Brönsted catalysis. 9. Electron transfer. Marcus equation. 10. Photochemistry and photophysics. 11. Spin chemistry. Magnetic field effects. 12. Non-classical activation of chemical reactions.

Literature

• E. V. Anslyn, D. A. Dougherty: Modern Physical Organic Chemistry. University Science Books, Kausalito, California 2005. ISBN 1-891389-9
• O. Exner: Korelační vztahy v organické chemii. SNTL, Praha 1981
• O. Exner: Struktura a fyzikální vlastnosti organických sloučenin. SNTL, Praha 1985.
• I. Fleming: Hraniční orbitaly a reakce v organické chemii. SNTL, Praha 1983.
• F. A. Carey, R. J. Sundberg: Advanced Organic Chemistry, 3rd edition, Part A: Structure and Mechanisms. Plenum Press, New York, 1993.

Teaching methods

Lectures.

Assessment methods

1 written final test + oral exam.

Language of instruction

Czech

Follow-Up Courses

• C1020 General Chemistry
• C2021 Organic Chemistry I
• C3022 Organic Chemistry II/1
• C3140 Physical Chemistry I
• C4020 Physical Chemistry II

Further Comments

The course can also be completed outside the examination period.
The course is taught annually.
The course is taught: every week.

Listed among pre-requisites of other courses

• C4450 Organic Chemistry III - synthesis
  (C3022||C3050)&&C5500&&C7410  
• C7415 Structure and Reactivity - seminar
  NOW(C7410)  
• C8500 Mechanisms of Organic Reactions
  C7410&&NOW(C8510)  
• C8510 Mechanisms of Organic Reactions - seminar
  C7410&&NOW(C8500)  

C7410 Structure and Reactivity

Extent and Intensity

2/0/0. 2 credit(s) (fasci plus compl plus > 4). Recommended Type of Completion: zk (examination). Other types of completion: k (colloquium).

Teacher(s)

prof. RNDr. Petr Klán, Ph.D. (lecturer)

Guaranteed by

prof. RNDr. Petr Klán, Ph.D.
Department of Chemistry – Chemistry Section – Faculty of Science
Contact Person: prof. RNDr. Petr Klán, Ph.D.

Prerequisites

(( C1020 General Chemistry && C2021 Organic Chemistry I && C3022 Organic Chemistry II &&( C4660 Basic Physical Chemistry || C3140 Physical Chemistry I || C3401 Physical Chemistry I )&&( C4020 Advanced Physical Chemistry || C4402 Physical Chemistry II ))&&NOW( C7415 Structure and Reactivity ))||SOUHLAS
organic chemistry, physical chemistry, physics

Course Enrolment Limitations

The course is also offered to the students of the fields other than those the course is directly associated with.

fields of study / plans the course is directly associated with

there are 14 fields of study the course is directly associated with, display

Course objectives

This course provides an information about the relationship between the structure of organic compounds and their reactivity. Different ways of chemical activation and the courses of the ractions are discussed.

Syllabus

• 1. Structure and reactivity relationship. Calibration points in chemistry. Inner parameters of the structure and its deformations. Physical properties caused by (a) geometry of nuclei, (b) electron density and its change. Activation and driving force of the chemical reactions. 2. Stability of molecules. Thermodynamic additive calculations. Conformations of acyclic and cyclic hydrocarbons. Heteroatom effects. Hyperconjugation. Anomeric effect. 3. Aromaticity a antiaromaticity. Aromatic ions and dipoles. Aromaticity of the transition state in the pericyclic reactions. 4. Non-covalent interactions and solvent effects. Solutions. Hughes-Ingold principles. H-bonding. Hydrophobic effect. Molecular recognition. 5. Proton transfer. Acid-base equilibria. 6. Chemical kinetics and reactivity. HSAB. Nucleophiles and electrophiles. Rate constants. Hammond and Curtin-Hammond principles. Driving force of the reactions. 7. Thermodynamics and kinetics - the tools to study chemical reactions. LFER. Hammett equation. Taft equation. QSAR. Kinetic isotope effects. Entropy vs. enthalpy. 8. Catalysis. Transition metal catalysis. Heterogeneous catalysis. Enzymatic catalysis. Brönsted catalysis. 9. Electron transfer. Marcus equation. 10. Photochemistry and photophysics. 11. Spin chemistry. Magnetic field effects. 12. Non-classical activation of chemical reactions.

Literature

• E. V. Anslyn, D. A. Dougherty: Modern Physical Organic Chemistry. University Science Books, Kausalito, California 2005. ISBN 1-891389-9
• O. Exner: Korelační vztahy v organické chemii. SNTL, Praha 1981
• O. Exner: Struktura a fyzikální vlastnosti organických sloučenin. SNTL, Praha 1985.
• I. Fleming: Hraniční orbitaly a reakce v organické chemii. SNTL, Praha 1983.
• F. A. Carey, R. J. Sundberg: Advanced Organic Chemistry, 3rd edition, Part A: Structure and Mechanisms. Plenum Press, New York, 1993.

Language of instruction

Czech

Follow-Up Courses

• C1020 General Chemistry
• C2021 Organic Chemistry I
• C3022 Organic Chemistry II/1
• C3140 Physical Chemistry I
• C4020 Physical Chemistry II

Further Comments

The course can also be completed outside the examination period.
The course is taught annually.
The course is taught: every week.

Listed among pre-requisites of other courses

• C4450 Organic Chemistry III - synthesis
  (C3022||C3050)&&C5500&&C7410  
• C7415 Structure and Reactivity - seminar
  NOW(C7410)  
• C8500 Mechanisms of Organic Reactions
  C7410&&NOW(C8510)  
• C8510 Mechanisms of Organic Reactions - seminar
  C7410&&NOW(C8500)  

• Enrolment Statistics (recent)