title: Band deconvolution analysis of the absorption and magnetic circular dichroism spectral data of a planar phthalocyanine dimer.
abstract: 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.
authors.affiliation: Department of Chemistry, Graduate School of Science, Tohoku University, Sendai 980-8578, Japan.
authors.forename: N
authors.initials: N
authors.lastname: Kobayashi
authors.forename: T
authors.initials: T
authors.lastname: Fukuda
authors.forename: D
authors.initials: D
authors.lastname: Lelièvre
mesh_terms: D002942:Circular Dichroism; D019281:Dimerization; D007211:Indoles / Q000737:chemistry*; D054833:Isoindoles; D011838:Radiation-Sensitizing Agents / Q000737:chemistry*; D013054:Spectrophotometry, Atomic
chemical_list: D007211:Indoles; D054833:Isoindoles; D011838:Radiation-Sensitizing Agents; C013647:phthalocyanine