Folgen
-
Two case studies involving the principles of stereochemical design
-
Cyclo-octane, trans-cyclo-octene, and atripisomerism. Caroyophyllene and biphenyls.
-
Fehlende Folgen?
-
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.
- Mehr anzeigen
