C7410 Structure and Reactivity

Faculty of Science
autumn 2017
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
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
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
The course is also listed under the following terms Autumn 2007 - for the purpose of the accreditation, Autumn 1999, Autumn 2010 - only for the accreditation, Autumn 2000, Autumn 2001, Autumn 2002, Autumn 2003, Autumn 2004, 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 2018, Autumn 2019, Autumn 2020, autumn 2021, Autumn 2022, Autumn 2023, Autumn 2024.
  • Enrolment Statistics (autumn 2017, recent)
  • Permalink: https://is.muni.cz/course/sci/autumn2017/C7410