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Magnetism and Pressure-Induced Superconductivity of Checkerboard-Type Charge-Ordered Molecular Conductor β-(meso-DMBEDT-TTF)2X (X = PF6 and AsF6)
Crystals 2013, 3(1), 112-119; doi:10.3390/cryst3010112

Solvent-Included Ternary Charge-Transfer Salt (BEDT-TTF)2GaCl4(C6H5Cl)0.5, (BEDT-TTF = Bis(ethyelenedithio)-tetrathiafulvalene)

1,*  and 2
1 Beijing National Laboratory of Molecular Science (BNLMS), Organic Solid Laboratory, Center of Molecular Science (CMS) & Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China 2 School of Physics, Peking University, Beijing 100871, China
* Author to whom correspondence should be addressed.
Received: 27 November 2012 / Revised: 10 January 2013 / Accepted: 25 January 2013 / Published: 18 February 2013
(This article belongs to the Special Issue Molecular Conductors)
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The synthesis, crystal structure, and conductivity of a solvent-included ternary charge-transfer salt (BEDT-TTF)2GaCl4(C6H5Cl)0.5 (1) is described and interpreted. Electrochemical oxidation of neutral bis(ethyelenedithio)-tetrathiafulvalene (BEDT-TTF) in the presence of (Me4N)Ga(C2O4)Cl2 in a mixture of C6H5Cl and C2H5OH yields crystals of 1. Compound 1 crystallized as a monoclinic C 2/c space group with cell parameters: a = 47.0615(4) Å, b = 6.7895(1) Å, c = 31.6297(4) Å, β = 132.064(1)°, V = 7503.0(2) Å3, Z = 8 at 293 K and a = 46.4767(5) Å, b = 6.7398(1) Å, c = 31.0778(4) Å, β = 131.630(1)°, V = 7267.4(2) Å3, Z = 8 at 120 K. The formal charge of the donor molecule was assigned as +0.5 from bond lengths in the TTF core. The donor molecules stack with C―···S contacts along the c direction and side-to-side SS contacts along the b direction to form a two-dimensional donor layer on the bc plane. In the anion sheet, C6H5Cl chain is sandwiched by two GaCl4 chains with ClCl contacts. Compound 1 shows semiconductive behavior with Ea = 124 meV between room-temperature and 150 K and σ300K = 1 S·cm−1.
Keywords: organic conductor; solvent molecule; crystal structure; charge-transfer salt organic conductor; solvent molecule; crystal structure; charge-transfer salt
This is an open access article distributed under the Creative Commons Attribution License (CC BY) which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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Zhang, B.; Zhang, Y. Solvent-Included Ternary Charge-Transfer Salt (BEDT-TTF)2GaCl4(C6H5Cl)0.5, (BEDT-TTF = Bis(ethyelenedithio)-tetrathiafulvalene). Crystals 2013, 3, 112-119.

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