Internal rotation in free molecules of styrene and trans-stilbene
β Scribed by A. Yu. Grumadas
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 1990
- Tongue
- English
- Weight
- 513 KB
- Volume
- 31
- Category
- Article
- ISSN
- 0022-4766
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π SIMILAR VOLUMES
The hmrtatrons of the concept of a drhedral angle III conformational analysrs are drscussed The madequacy of the descrrptron of molecules as canomcal forms 1s emphasued by ensemble averagmg of quantum mechanical expectation values of the drhedral angle for a srmple. two-fold potentral The unportance
The single-rovibronic-level fluorescence of ''intermediate-case'' molecules that undergo methyl internal rotation is strongly influenced by the torsional Ε½ . symmetry of the lowest excited singlet state S . The most dramatic example of such 1 symmetry dependence comes from our recent finding that th
## Abstract __Ab initio__ and INDO LCBOβMO calculations are carried out on glyoxal, 1,3βbutadiene, and acrolein in order to analyze the qualitative failure of INDOβlike methods to describe conformation energies in these molecules. Following the method of Brunck and Weinhold for ethanelike systems w