Crystal structures of complexes between hexacyanobutadiene and tetramethyltetrathiafulvalene and tetramethylthiotetrathiafulvalene.

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概要

• 論文の詳細を見る

• Hexacyanobutadiene(HCBD) forms two kinds of molecular complexes with tetramethyltetrathiafulvalene(TMTTF) one kind with tetramethylthiotetrathiafulvalene(TTMTTF). The crystal structures of these complexes and neutral TTMTTF are determined by X-ray analyses. (TMTTF)<SUB>2</SUB>·HCBD is composed of 2:1 donor and acceptor, and TMTTF exists as a dimer cation stacked along the c axis. HCBD anions are included in the cavity of the dimer stack directing their molecular planes parallel to the stacking axis. TMTTF·HCBD is composed of 1:1 donor and acceptor, and has segregated cation and anion stacks with the interplanar spacing of 3.61 Å in TMTTF and 3.43 Å in HCBD columns. TTMTTF·HCBD is shown to have a regular segregated column with a partial charge transfer. Neutral TTMTTF has a non-planar conformation. The C=C and C–S bond lengths of the donors in free and complexed states are correlated with the degree of the charge transfer in these four complexes, and linear relationships are found between these two quantities.

• 公益社団法人 日本化学会の論文

著者

• Inokuchi Hiroo

  Institute For Molecular Science

• Tanaka Jiro

  Department Of Biomaterials Okayama University Graduate School Of Medicine Dentistry And Pharmaceutic

• Saito Gunzi

  Department Of Chemistry Faculty Of Science Kyoto University

• Katayama Chuji

  Department of Chemistry, Faculty of Science, Nagoya University

• Honda Masako

  Department of Chemistry, Faculty of Science, Nagoya University

• Kumagai Hiroaki

  Department of Chemistry, Faculty of Science, Nagoya University

• Inokuchi Hiroo

  Institute for Molecular Science, Myodaiji

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