C7410 Structure and Reactivity

Faculty of Science
Autumn 2011
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
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
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 - acreditation, Autumn 2012, Autumn 2013, Autumn 2014, Autumn 2015, Autumn 2016, autumn 2017, Autumn 2018, Autumn 2019, Autumn 2020, autumn 2021, Autumn 2022, Autumn 2023, Autumn 2024.
  • Enrolment Statistics (Autumn 2011, recent)
  • Permalink: https://is.muni.cz/course/sci/autumn2011/C7410