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

The synthesis, crystal structure, and conductivity of a solvent-included ternary charge-transfer salt (BEDT-TTF) 2GaCl 4(C 6H 5Cl) 0.5 ( 1) is described and interpreted. Electrochemical oxidation of neutral bis(ethyelenedithio)-tetrathiafulvalene (BEDT-TTF) in the presence of (Me 4N)Ga(C 2O 4)Cl 2 in a mixture of C 6H 5Cl and C 2H 5OH yields crystals of 1. Compound 1 crystallized as a monoclinic C 2/c space group with cell parameters: a = 47.0615(4) ？, b = 6.7895(1) ？, c = 31.6297(4) ？, β = 132.064(1)°, V = 7503.0(2) ？ 3, Z = 8 at 293？K and a = 46.4767(5) ？, b = 6.7398(1) ？, c = 31.0778(4) ？, β = 131.630(1)°, V = 7267.4(2) ？ 3, 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 S …S contacts along the b direction to form a two-dimensional donor layer on the bc plane. In the anion sheet, C 6H 5Cl chain is sandwiched by two GaCl 4 ？ chains with Cl …Cl contacts. Compound 1 shows semiconductive behavior with E a = 124 meV between room-temperature and 150 K and σ 300K = 1 S·cm ？1.