The course is also offered to the students of the fields other than those the course is directly associated with.
Fields of study the course is directly associated with
there are 14 fields of study the course is directly associated with, display
Seminar. At the end of the course students should be able to understand and practise what was discussed in the course Structure and Reactivity (C7410).
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.
E. V. Anslyn, D. A. Dougherty: Modern Physical Organic Chemistry. University Science Books, Kausalito, California 2005. ISBN 1-891389-9.