Synthesis and Solid-State Structures of a Tetrathiafulvalene-Conjugated Bistetracene

• Yamashita, Masataka

• Kuzuhara, Daiki

• Aratani, Naoki

• Yamada, Hiroko

抄録

A tetrathiafulvalene (TTF)-conjugated bistetracene was synthesized and characterized in the molecular electronic structures based on the spectroscopic measurements and the single-crystal X-ray diffraction analysis. UV/Vis absorption and electrochemical measurements of 5 revealed the considerable electronic communication between two tetracenedithiole units by through-bond and/or through-space interactions. The difference in the crystal-packing structures of 5, showing polymorphism, results in a variety of intermolecular electronic-coupling pattern. Of these, the π-stacking structure of 5 A gave a large transfer integral of HOMOs (97 meV), which value is beyond hexacene and rubrene, thus, quite beneficial to achieve the high hole mobility.

収録刊行物

• Chemistry - A European Journal

  Chemistry - A European Journal 20 (21), 6309-6314, 2014-04-11

  WILEY-VCH Verlag

キーワード

• density functional calculations
• pi interactions
• polymorphism
• tetracenes
• X-ray diffraction

詳細情報

• CRID: 1050858784329413504
• NII論文ID: 120006334982
• NII書誌ID: AA11617391
• ISSN: 15213765
• HANDLE: 10061/12089
• Web Site: https://naist.repo.nii.ac.jp/records/9750
• 本文言語コード: en
• 資料種別: journal article
• データソース種別:
  • IRDB
  • CiNii Articles