Issue 2, 1984

Theoretical investigation of electronic and molecular structures of bithiopyranylidene and related conducting complexes

Abstract

Electronic structures of bipyranylidene (BIPO)and bithiopyranylidene (BIPS) have been investigated by means of ab initio theoretical calculations. Evolution of the molecular structures of bithiopyranylidene and related compounds upon substitution and doping with electron acceptors (iodine, TCNQ)are explained on the basis of Molecular Orbital theory.

Article information

Article type
Paper

J. Chem. Soc., Perkin Trans. 2, 1984, 239-243

Theoretical investigation of electronic and molecular structures of bithiopyranylidene and related conducting complexes

J. P. Boutique, J. J. Verbist, J. G. Fripiat and J. Delhalle, J. Chem. Soc., Perkin Trans. 2, 1984, 239 DOI: 10.1039/P29840000239

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