Chemistry Enhanced Podcasts, Imperial College London.

Two case studies involving the principles of stereochemical design

Cyclo-octane, trans-cyclo-octene, and atripisomerism. Caroyophyllene and biphenyls.

Transition state modelling; reaction coordinates and aromatic electrophilic substitution. Pyridine, concerted vs Wheland intermediates. The Diels Alder reaction in a cavity.

The analysis of wave functions, including molecular orbitals, electrostatic potentials, QTAIM critical points, and the NCI method.

Overview of quantum mechanical methods, the Hamiltonian, the best set and extrapolative methods.

The mechanics force field, how it is used to optimize molecular geometries, and a case study.

The techniques of molecular visualisation, and the sources of coordinates.

Conformational analysis of 3,4,5 and 6-membered rings.

General aspects of molecular modelling, including scales, coordinates, properties and reactivity.

The conformational preferences of alikeness, aldehydes, ketones, esters and amides.

The factors responsible for the conformation of alkanes and heterosubstituted alkanes.

Historical background to conformational analysis, and Barton's contributions. The stereo electronic theory of conformational analysis.

Hiostorical preamble, characteristic properties and examples of the major types of pericyclic reactions

Examples of sigma tropic reactions, illustrating the equivalence between inversion and antarafacial modes.

Examples of pericyclic additions and eliminations, with two joined up case studies.

A number of examples of electrocyclic pericyclic reactions.

The theory of orbital symmetry, with selection rules derived from transition state aromaticity

Cyclo-octane, trans cyclo-octene, how to resolve it into configurational isomers, and atropisomerism in caryophyllene. Restricted rotation in biphenyls.

Conformational analysis of rings, and sugars.

Analysis of cyclopropane, cyclobutane, cyclopentane and cyclohexane, including ring-locking with large groups and anti-periplanar relationships of substituents.