Episodes
Two case studies involving the principles of stereochemical design
Published 02/21/12
Published 02/21/12
Cyclo-octane, trans-cyclo-octene, and atripisomerism. Caroyophyllene and biphenyls.
Published 02/20/12
Transition state modelling; reaction coordinates and aromatic electrophilic substitution. Pyridine, concerted vs Wheland intermediates. The Diels Alder reaction in a cavity.
Published 02/20/12
The analysis of wave functions, including molecular orbitals, electrostatic potentials, QTAIM critical points, and the NCI method.
Published 02/15/12
Overview of quantum mechanical methods, the Hamiltonian, the best set and extrapolative methods.
Published 02/15/12
The mechanics force field, how it is used to optimize molecular geometries, and a case study.
Published 02/15/12
The techniques of molecular visualisation, and the sources of coordinates.
Published 02/15/12
Conformational analysis of 3,4,5 and 6-membered rings.
Published 02/09/12
General aspects of molecular modelling, including scales, coordinates, properties and reactivity.
Published 02/07/12
The conformational preferences of alikeness, aldehydes, ketones, esters and amides.
Published 02/06/12
The factors responsible for the conformation of alkanes and heterosubstituted alkanes.
Published 02/03/12
Historical background to conformational analysis, and Barton's contributions. The stereo electronic theory of conformational analysis.
Published 02/02/12
Hiostorical preamble, characteristic properties and examples of the major types of pericyclic reactions
Published 01/31/12
Examples of sigma tropic reactions, illustrating the equivalence between inversion and antarafacial modes.
Published 01/31/12
Examples of pericyclic additions and eliminations, with two joined up case studies.
Published 01/27/12
A number of examples of electrocyclic pericyclic reactions.
Published 01/26/12
The theory of orbital symmetry, with selection rules derived from transition state aromaticity
Published 01/24/12
Cyclo-octane, trans cyclo-octene, how to resolve it into configurational isomers, and atropisomerism in caryophyllene. Restricted rotation in biphenyls.
Published 05/23/11
Conformational analysis of rings, and sugars.
Published 05/18/11
Analysis of cyclopropane, cyclobutane, cyclopentane and cyclohexane, including ring-locking with large groups and anti-periplanar relationships of substituents.
Published 05/16/11
Conformational analysis of alkyl substituted alkenes, aldehydes, ketones, esters and amides.
Published 05/10/11
The conformations of alkanes, including butane, from the perspective of the three controlling influences in conformations.
Published 05/09/11
The relevance of conformational analysis, definitions and introduction to the theory.
Published 05/04/11
Case study 8, enol borinates in sterespecific C-C bond formation. The asymmetric Strecker reaction.
Published 03/01/11
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