Quantitative relationships between molecular structure and chemical reactivity: Hammett equation, non-linear Hammett correlations, Yukawa-Tsuno equation and their applications to kinetics and to equilibria. Acid-base equilibria: brief overview of basic concepts, techniques of measuring acidity of organic compounds in the gas phase, properties and reactivity of carbanions (effect of substituents on stability, aromatic and antiaromatic anions, unimolecular rearrangements, carbanions in synthesis of organometallic compounds), effect of solvents on acidity, effect of electronic excitation on acidity of organic compounds, intra- and intermolecular hydrogen(proton) transfer in the ground state and the electronically excited states (experimental and theoretical approaches). Isolation and spectroscopy of reaction intermediates: matrix isolation (IR, UV, ESR, NMR), reaction intermediates in superacids ultrafast spectroscopies. VB-Model and its application to study of the reaction mechanisms: VB-model and aromaticity, SN1 and SN2 reactions, Marcus theory. Reactions in solid phase. Autocatalysis and selfreplication mechanisms.
- OBVEZNA LITERATURA:
E.V. Anslyn, D.A. Dougherty: Modern Physical Organic Chemistry, University Science Books, Sausalito, Cal. 2004.
H. Maskill (Ed): The Investigations of Organic Reactions and their Mechanisms, Blackwell Publishing 2006.
H. Maskill: Structure and Reactivity in Organic Chemistry, 2nd Ed.. Oxford Science Publ., Oxford 2000.
T.H. Lowry, K. S. Richardson: Mechanism and Theory in Organic Chemistry, 3rd Ed., Harper Int. Edition, New York 1998.
- DOPUNSKA LITERATURA:
S. Scheiner: Hydrogen Bonding: A Theoretical Perspective, Oxford University Press, Oxford 1997.
M. Klessinger, J. Michl: Excited States and Photochemistry of Organic Molecules, Verlag Chemie, Weinheim 1995.
S. S. Shaik, H. B. Schlegel, S. Wolfe: Theoretical Aspects of Physical Organic Chemistry, Wiley, New York 1992.
M.S. Platz, R.A. Moss and M. Jones (Eds): Reviews in Reactive Intermediate Chemistry, Wiley, New York, 2007.