Molecular Crystals and Liquid Crystals Science and Technology Section A: Molecular Crystals and Liquid Crystals vol. 380, pp. 123 - 128
Single crystals of new organic metal, (ET)MT)2(BF 4)(THF). were electrochemically grown in an H-type cell. In the X-ray crystal structure, ET and MT donors together form a layer in ac-plane, which is stacking along b-axis alternatively with the layer formed by BF 4 - and THF. Within the mixed-donor layer, MT molecules (stacking along a-axis) and ET molecules (arranged side-by-side) are almost perpendicular each other with their long in-plane molecular axes being along b-axis. ET and MT molecules within a layer are closely connected by short S . . . S interactions (3.226-3.694 Å) and achieve the2D S . . . S network. Band electronic structure calculations on this complex show that it is a 2D metal at r.t. Bands are more dispersive along the a-axis which means that electrical conductivity is possibly better along this direction. However, the Fermi surface nesting which arises in many low dimensional metals, was not found.