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Semiempirical Use of Chirality Functions for the Description of the Optical Activity of Allene Derivatives in the Transparent Region
Author(s) -
Ruch Ernst,
Runge Wolfgang,
Kresze Günter
Publication year - 1973
Publication title -
angewandte chemie international edition in english
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 0570-0833
DOI - 10.1002/anie.197300201
Subject(s) - allene , sign (mathematics) , chirality (physics) , polynomial , chemistry , rotation (mathematics) , expression (computer science) , stereochemistry , computational chemistry , physics , mathematics , computer science , organic chemistry , mathematical analysis , geometry , quantum mechanics , chiral symmetry , catalysis , nambu–jona lasinio model , programming language , quark
Abstract A 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 T d component 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 rotation.