The inductive effect in π-electron systems
作者:
DenisR. Williams,
期刊:
Molecular Physics
(Taylor Available online 1967)
卷期:
Volume 12,
issue 1
页码: 41-48
ISSN:0026-8976
年代: 1967
DOI:10.1080/00268976700100051
出版商: Taylor & Francis Group
数据来源: Taylor
摘要:
The shift ofn-π* bands of some azines on chloro substitution is examined assuming that the chloro substituent has only inductive character. This inductive character consists of both σ and π-electron interactions; the σ effect is approximated by the theory of Pople and Santry [7], whilst the π effect is assumed to have both short and long-range characteristics in the perturbing potential [1]. The calculations lead us to the conclusion that the approximations made in the estimation of σ effects are almost certainly responsible for the poor agreement observed between theory and experiment.
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