Band deconvolution analysis of the absorption and magnetic circular dichroism spectral data of a planar phthalocyanine dimer

被引：51

作者：

Kobayashi, N ^{[1
]}

Fukuda, T

Lelièvre, D

机构：

[1] Tohoku Univ, Grad Sch Sci, Dept Chem, Sendai, Miyagi 9808578, Japan

[2] Ecole Super Phys & Chim Ind Ville Paris, CNRS ESA 7071, F-75231 Paris 05, France

来源：

INORGANIC CHEMISTRY | 2000年 / 39卷 / 16期

关键词：

D O I：

10.1021/ic991496s

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The electronic absorption and magnetic circular dichroism spectral data of a phthalocyanine dicopper complex that is deduced to be very planar and to share a common benzene ring have been studied by band deconvolution analysis. The results were compared with those of the molecular orbital (MO) calculations within the framework of the Pariser-Parr-Pople (PPP) approximation. The results of the band deconvolution analysis are in good agreement with those of the PPP calculations, allowing many bands to be reasonably assigned on the basis of the MO calculations. The validity of the PPP method for the MO calculation of large molecules is also emphasized.

引用

页码：3632 / 3637

页数：6

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