Semiempirical Use of Chirality Functionsfor the Description of the Optical Activity of Allene Derivatives in the Transparent Region
作者:
Ernst Ruch,
Wolfgang Runge,
Günter Kresze,
期刊:
Angewandte Chemie International Edition in English
(WILEY Available online 1973)
卷期:
Volume 12,
issue 1
页码: 20-25
ISSN:0570-0833
年代: 1973
DOI:10.1002/anie.197300201
出版商: Hüthig&Wepf Verlag
关键词: Chirality functions;Optical activity;Allene derivatives
数据来源: WILEY
摘要:
AbstractA comparison of calculated and experimental data shows that the optical rotatory power of phenylallenecarboxylic acids is quantitatively described by the polynomial expression developed in (1). The Tdcomponent of this expression, the only relevant one for the case of methane derivatives turns out to be negligibly small in the case of allene derivatives. Therefore, and because allene derivatives belong to category a[16]the sequence of the λ‐parameter values of the ligands may be used to determine the configuration and the sign of rotati
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