New organic metal containing mixed donors: (ET)(MT) 2 (BF 4)(THF)

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 the 2D 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.