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A Group Theoretical Analysis of Conformational Flexibility
Author(s) -
Dugundji James,
Showell John,
Kopp Rosemarie,
Marquarding Dieter,
Ugi Ivar
Publication year - 1980
Publication title -
israel journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.908
H-Index - 54
eISSN - 1869-5868
pISSN - 0021-2148
DOI - 10.1002/ijch.198000049
Subject(s) - chemistry , conformational isomerism , molecule , group (periodic table) , interpretation (philosophy) , flexibility (engineering) , computational chemistry , identity (music) , crystallography , stereochemistry , organic chemistry , statistics , physics , mathematics , computer science , acoustics , programming language
The chemical identity group of a conformationally flexible molecule has very special properties. An analysis of its group structure leads to a detailed interpretation of the properties of the conformationally flexible molecules and their permutation isomers. In contrast to conventional conformational analysis our treatment of conformationally flexible molecules on the basis of chemical identity groups emphasizes ensembles of interconverting conformers. This leads to an interpretation of the observed increase in “symmetry” through conformational flexibility.