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    题名: Synthesis, crystal structure, electrical properties, and band electronic structure of bis(1,3-propanediyldithio)tetrathiafulvalenium tetraiodoindate(III), (BPDT-TTF)3(InI4)2
    作者: 高惠春;Kao, Huey Chuen I.;Geiser, Urs;Wang, Hau H.;Schlueter, John;Chen, Marilyn Y.;Kini, Aravinda M.;Williams, Jack M.;Whangbo,Myung Hwan;Evain, Michel
    贡献者: 淡江大學化學學系
    日期: 1988-11
    上传时间: 2009-12-01
    出版者: American Chemical Society (ACS)
    摘要: A 3:2 salt (BPDT-TTF)â(InIâ)â was obtained by electrocrystallization and its structure was determined by single-crystal x-ray diffraction (triclinic, space group /bar P/1, a = 7.403 (2) /angstrom/, b = 9.170 (2) /angstrom/, c = 25.883 (7) /angstrom/, /alpha/ = 89.29 (2)/degree/, /beta/ = 96.34 (2)/degree/, /gamma/ = 92.83 (2)/degree/, V = 1774.2 (8) /angstrom/³, Z = 1). Analysis of the C/double bond/C and C/emdash/S bond lengths in the PT (i.e., BPDT-TTF) molecules suggest that this salt consists of donor molecules PT in two different oxidation states (i.e., BPDT-TTF/sup +/ and BPDT-TTF/sup 0.5+/). This oxidation assignment is consistent with the authors ESR measurements and band electronic structure calculations. The (BPDT-TTF)â(InIâ)â salt is a semiconductor at room temperature and below, which can be rationalized in terms of electron localization in the stacks of BPDT-TTF/sup +/ cations and the electronic instability associated with the well-nested Fermi surface for the layers of (BPDT-TTF)â/sup +/ dimers. Preliminary x-ray diffraction experiments indicate that (BPDT-TTF)â(T1Iâ)â is isostructural with (BPDT-TTF)â(InIâ)â. 28 refs., 7 figs., 3 tabs.
    關聯: Inorganic chemistry 27(23), pp.4284-4289
    DOI: 10.1021/ic00296a041
    显示于类别:[化學學系暨研究所] 期刊論文

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