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Molecular Conformation of Benzylideneanilines
Author(s) -
Bürgi H. B.,
Dunitz J. D.
Publication year - 1971
Publication title -
helvetica chimica acta
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.74
H-Index - 82
eISSN - 1522-2675
pISSN - 0018-019X
DOI - 10.1002/hlca.19710540504
Subject(s) - chemistry , planar , azobenzene , molecular geometry , crystallography , molecule , simple (philosophy) , molecular conformation , computational chemistry , chemical physics , stereochemistry , organic chemistry , computer graphics (images) , computer science , philosophy , epistemology
The non‐planar conformations of benzylideneanilines and the almost planar conformations of stilbene and azobenzene are consistently reproduced by a simple model, which takes into account the dependence of π‐electron energy and non‐bonded interactions on molecular conformation. Other aspects of the molecular geometry of benzylideneanilines.(bond angles influence of p ‐substituents) are also discussed.
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