CIRCULAR-DICHROISM OF A CHIRAL ALKYLBENZENE - COUPLED OSCILLATOR APPROACH

被引：16

作者：

ZANDOMENEGHI, M

机构：

[1] Laboratorio di Chimica Quantistica ed Energetica Molecolare del CNR

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1979年 / 83卷 / 22期

关键词：

D O I：

10.1021/j100485a024

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The dynamic coupling of electric dipole allowed benzene transitions with those of the neighboring alkyl moiety is shown to be an important, possibly predominant, mechanism for optical activity in the (+)-(S)-2-phenyl-3,3-dimethylbutane compound by means of a polarizability treatment. A model of the alkyl polarizabilities to be used in the calculations is presented and discussed. Comparison of the results obtained is made both with circular dichroism and with absorption UV spectra determined experimentally. © 1979 American Chemical Society.

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页码：2926 / 2928

页数：3

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