MAGNETIC CIRCULAR-DICHROISM SPECTRA OF DECACYCLENE AND HEXABENZOCORONENE

被引：21

作者：

HIGASHI, M ^{[1
]}

YAMAGUCHI, H ^{[1
]}

机构：

[1] KUMAMOTO UNIV,FAC SCI,DEPT CHEM,KUMAMOTO 860,JAPAN

来源：

JOURNAL OF CHEMICAL PHYSICS | 1979年 / 70卷 / 05期

关键词：

D O I：

10.1063/1.437774

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 magnetic circular dichroism (MCD) spectra of decacyclene (I) and hexabenzocoronene (II) have been measured. The absorption spectra of I and II located in the lowest wavenumber region (22-30×103 cm -1) were assigned by using the MCD spectra and the results of the SCF screened potential π-MO CI calculations. The 1E′ and 1Elu excited states of I and II are located at 26.5 and 26.1×103 cm respectively. The calculated Faraday A/D values for these excited states agreed well with the experimental values both in signs and in magnitudes. The calculated Faraday B values for these excited states tended to be larger than the experimental values. © 1979 American Institute of Physics.

引用

页码：2198 / 2200

页数：3

共 22 条

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