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

• Published in: Inorganic chemistry Vol. 50; no. 2; pp. 444 - 450
• Main Authors: Kazheva, Olga N, Alexandrov, Grigorii G, Kravchenko, Andrey V, Kosenko, Irina D, Lobanova, Irina A, Sivaev, Igor B, Filippov, Oleg A, Shubina, Elena S, Bregadze, Vladimir I, Starodub, Vladimir A, Titov, Lev V, Buravov, Lev I, Dyachenko, Oleg A
• Format: Journal Article
• Language: English
• Published: United States American Chemical Society 17.01.2011
• ISSN: 0020-1669; 1520-510X
• DOI: 10.1021/ic101168b

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.