title: Synthesis and solid-state structures of a tetrathiafulvalene-conjugated bistetracene.
abstract: 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.
authors.affiliation: Graduate School of Materials Science, Nara Institute of Science and Technology (NAIST), 8916-5 Takayama-cho, Ikoma, Nara 630-0192 (Japan), Fax: (+81) 743-72-6042.
authors.forename: Masataka
authors.initials: M
authors.lastname: Yamashita
authors.forename: Daiki
authors.initials: D
authors.lastname: Kuzuhara
authors.forename: Naoki
authors.initials: N
authors.lastname: Aratani
authors.forename: Hiroko
authors.initials: H
authors.lastname: Yamada
keywords: X-ray diffraction; density functional calculations; pi interactions; polymorphism; tetracenes