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

Nagao Kobayashi, Takamitsu Fukuda, Dominique Leliévre

Research output: Contribution to journalArticlepeer-review

48 Citations (Scopus)

Abstract

The electronic absorption and magnetic circular dichroism spectral data of a phhhalocyanine 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 deccnvolution 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.

Original languageEnglish
Pages (from-to)3632-3637
Number of pages6
JournalInorganic chemistry
Volume39
Issue number16
DOIs
Publication statusPublished - 2000 Aug 7

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry

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