Chemistry Letters
Online ISSN : 1348-0715
Print ISSN : 0366-7022
ISSN-L : 0366-7022
ONE-DIMENSIONAL NATURE OF THE BAND-STRUCTURE PARAMETERS OF (BPDT-TTF)3(PF6)2 AND (BPDT-TTF)2I3
Takehiko MoriAkiko KobayashiYukiyoshi SasakiReizo KatoHayao Kobayashi
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1984 Volume 13 Issue 8 Pages 1335-1338

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Abstract

Calculation of band-structure parameters of novel organic conductors, (BPDT-TTF)3(PF6)2 and (BPDT-TTF)2I3 (BPDT-TTF: bis(propylenedithio)tetrathiafulvalene), elucidates their one-dimensional nature. The tendency of BPDT-TTF to form highly aniso-tropic compounds is explained by means of the small spread of the highest occupied molecular orbital (HOMO) to the outer heterorings.

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