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Symmetry of nonrigid molecules and isomerization processes

✍ Scribed by J. M. F. Gilles; J. Philippot

Publisher
John Wiley and Sons
Year
1978
Tongue
English
Weight
710 KB
Volume
14
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

Starting from the concept of a totally flexible molecule, rigidity is introduced by restricting progressively the allowed permutations. Each nonrigid isomer is then characterized by its Longuet‐Higgins group β„’ of allowed permutation inversions. For a given β„’ all nonrigidity types correspond to all possible choices of the symmetry subgroup β„’ of the skeleton. The structure of β„’ also allows a characterization of the isomerization processes studied in chemical kinetics. In both situations, isomerization mechanisms may be associated with generators and are, in the simplest situations, represented by Cayley graphs.

πŸ“œ SIMILAR VOLUMES

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Computer generation of the symmetry elements of nonrigid molecules
✍ K. Balasubramanian πŸ“‚ Article πŸ“… 1983 πŸ› John Wiley and Sons 🌐 English βš– 406 KB

Algorithms and computer programs are developed for generating the symmetry elements of nonrigid molecules. These programs are based on the wreath product formalism for the symmetry groups of nonrigid molecules developed by the present author. Several examples are given to illustrate the procedures.

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The symmetry group of a nonrigid molecule is related to that of the transition structure that is related to the rearrangement process which contributes to the ''nonrigidity'' of the molecular system. The resulting permutationrrotationrreflection groups for nonrigid molecules can be much larger in or

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## Abstract The Longuet‐Higgins group is used to obtain an alternative formulation of a criterion for optical activity of nonrigid molecules recently given by Frei and GΓΌnthard.