Significant differences in electronic structure among X-, α- and β-forms of lithium phthalocyanine

Michinori Sumimoto; Shigeyoshi Sakaki; Susumu Matsuzaki; Hitoshi Fujimoto

doi:10.1039/B209869E

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Significant differences in electronic structure among X-, α- and β-forms of lithium phthalocyanine†

Michinori Sumimoto,^a Shigeyoshi Sakaki,^b Susumu Matsuzaki^a and Hitoshi Fujimoto*^a

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* Corresponding authors

^a Graduate School of Science, Kumamoto University, Kurokami 2-39-1, Kumamoto 860-8555, Japan

^b Department of Molecular Engineering, Graduate School of Engineering, Kyoto University, Sakyo-ku, Kyoto 606-8501, Japan

Abstract

The X-type dimer of lithium phthalocyanine adopts a significantly different electronic structure from those of the α- and β-type dimers, which leads to a different absorption spectrum and magnetic properties for the X-polymorph compared to those of the α- and β-polymorphs.

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Supplementary files

Absorption spectra, optimized geometry of LiPc (bond lengths and angles) and the singlet and triplet energies of the α- and β-type dimers calculated by the DFT method PDF (2221K)

Article information

DOI: https://doi.org/10.1039/B209869E
Article type: Communication
Submitted: 08 Oct 2002
Accepted: 29 Nov 2002
First published: 04 Dec 2002

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Dalton Trans., 2003, 31-33

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Significant differences in electronic structure among X-, α- and β-forms of lithium phthalocyanine

M. Sumimoto, S. Sakaki, S. Matsuzaki and H. Fujimoto, Dalton Trans., 2003, 31 DOI: 10.1039/B209869E

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Dalton Transactions

Significant differences in electronic structure among X-, α- and β-forms of lithium phthalocyanine†

Abstract

Supplementary files

Article information

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Significant differences in electronic structure among X-, α- and β-forms of lithium phthalocyanine

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