Molecular Conductors with a 8-Hydroxy cobalt Bis(dicarbollide) Anion

Molecular conductors based on the 8-hydroxy cobalt bis(dicarbollide) anion, (TMTTF)[8-HO-3,3′-Co(1,2-C2B9H10)(1′,2′-C2B9H11)] (1), (BMDT-TTF)[8-HO-3,3′-Co(1,2-C2B9H10) (1′,2′-C2B9H11)] (2), and (BEDT-TTF)[8-HO-3,3′-Co(1,2-C2B9H10)(1′,2′-C2B9H11)] (3), were synthesized, and their crystal structures and electrical conductivities were determined. Compounds 2 and 3 are isostructural to the corresponding radical-cation salts of the parent cobalt bis(dicarbollide). All of the radical-cation salts prepared were found to be semiconductors. The relative stability of the rotation conformers of the [8-HO-3,3′-Co(1,2-C2B9H10)(1′,2′-C2B9H11)]− anion was estimated using DFT/BP86 quantum chemical calculations.