Structures and Conducting Properties of Molecular Conductors Based on Dimethyl-Substituted DTDA-TTP and DTDH-TTP

DOI PDF Research Data 77 References
  • Naoya Kinoshita
    Department of Applied Chemistry, Graduate School of Engineering, Ehime University, 3 Bunkyo-cho, Matsuyama, Ehime 790-8577 , Japan
  • Kento Suzuki
    Department of Applied Chemistry, Graduate School of Engineering, Ehime University, 3 Bunkyo-cho, Matsuyama, Ehime 790-8577 , Japan
  • Mohamad Safuwan bin Alias
    Department of Applied Chemistry, Graduate School of Engineering, Ehime University, 3 Bunkyo-cho, Matsuyama, Ehime 790-8577 , Japan
  • Takashi Shirahata
    Department of Applied Chemistry, Graduate School of Engineering, Ehime University, 3 Bunkyo-cho, Matsuyama, Ehime 790-8577 , Japan
  • Yohji Misaki
    Department of Applied Chemistry, Graduate School of Engineering, Ehime University, 3 Bunkyo-cho, Matsuyama, Ehime 790-8577 , Japan
  • Jun-ichi Yamada
    Department of Material Science, Graduate School of Material Science, University of Hyogo, 3-2-1 Kouto, Kamigori-cho, Ako-gun, Hyogo 678-1297 , Japan

Description

<jats:title>Abstract</jats:title> <jats:p>Dimethyl substituted donors, 2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-(1,3-dithian-2-ylidene)-1,3,4,6-tetrathiapentalene (DMDT-DA-TTP) and 2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5-(1,3-dithiolan-2-ylidene)-1,3,4,6-tetrathiapentalene (DMDT-DH-TTP), were successfully synthesized, and (DMDT-DA-TTP)2X (X− = PF6−, AsF6−, and SbF6−) and (DMDT-DH-TTP)2X (X− = PF6− and AsF6−) were prepared. All the DMDT-DA-TTP and DMDT-DH-TTP salts adopt β-type molecular packing with a head-to-tail molecular stacking. Although the overlap modes of donor molecules in the DMDT-DA-TTP and DMDT-DH-TTP salts are similar, the degree of dimerization of donor molecules is quite different. That is, electronically strong dimerization of the DMDT-DA-TTP molecules was assessed in the salts, while the DMDT-DH-TTP molecules have electronically almost uniform stacking in the salts. A tight-binding band calculation suggested that all the DMDT-DA-TTP salts have effectively half-filled energy bands with narrow bandwidths of 0.39–0.40 eV, while the bandwidths of DMDT-DH-TTP salts (0.96 eV) are relatively wide due to the lack of an energy gap. The calculated Fermi surfaces of all the salts are quasi-one-dimensional. In correspondence with the different band structures, all the DMDT-DA-TTP salts exhibited semiconducting behavior derived from the Mott-insulating nature. In contrast, both the DMDT-DH-TTP salts showed metallic temperature dependence down to 5–7 K.</jats:p>

Journal

References(77)*help

See more

Related Data

See more

Related Projects

See more

Keywords

Details 詳細情報について

Report a problem

Back to top