C7415 Structure and Reactivity - seminar

Faculty of Science
autumn 2021
Extent and Intensity
0/1/0. 1 credit(s) (fasci plus compl plus > 4). Type of Completion: z (credit).
Teacher(s)
prof. RNDr. Petr Klán, Ph.D. (lecturer)
Mgr. Dominik Madea, Ph.D. (seminar tutor)
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 9:00–9:50 A08/309
Prerequisites
NOW( C7410 Structure and Reactivity )
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 15 fields of study the course is directly associated with, display
Course objectives
The aim of this seminar is to practise the topics which were discussed in the course of Structure and Reactivity (C7410).
Learning outcomes
Students will be able to solve tasks from the field of structure and reactivity of organic molecules.
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
Teaching methods
Seminar - class discussions
Assessment methods
Attendance and working out of class assignment.
Language of instruction
Czech
Follow-Up Courses
Further Comments
The course can also be completed outside the examination period.
The course is taught annually.
Listed among pre-requisites of other courses
The course is also listed under the following terms Autumn 2007 - for the purpose of the accreditation, Autumn 2010 - only for the accreditation, Autumn 2005, Autumn 2006, Autumn 2007, Autumn 2008, Autumn 2009, Autumn 2010, Autumn 2011, Autumn 2011 - acreditation, Autumn 2012, Autumn 2013, Autumn 2014, Autumn 2015, Autumn 2016, autumn 2017, Autumn 2018, Autumn 2019, Autumn 2020, Autumn 2022, Autumn 2023, Autumn 2024.
  • Enrolment Statistics (autumn 2021, recent)
  • Permalink: https://is.muni.cz/course/sci/autumn2021/C7415