Molecular conductors with a 8-hydroxy cobalt bis(dicarbollide) anion

Olga N Kazheva; Grigorii G Alexandrov; Andrey V Kravchenko; Irina D Kosenko; Irina A Lobanova; Igor B Sivaev; Oleg A Filippov; Elena S Shubina; Vladimir I Bregadze; Vladimir A Starodub; Lev V Titov; Lev I Buravov; Oleg A Dyachenko

doi:10.1021/ic101168b

Molecular conductors with a 8-hydroxy cobalt bis(dicarbollide) anion

Inorg Chem. 2011 Jan 17;50(2):444-50. doi: 10.1021/ic101168b. Epub 2010 Dec 15.

Authors

Olga N Kazheva¹, Grigorii G Alexandrov, Andrey V Kravchenko, Irina D Kosenko, Irina A Lobanova, Igor B Sivaev, Oleg A Filippov, Elena S Shubina, Vladimir I Bregadze, Vladimir A Starodub, Lev V Titov, Lev I Buravov, Oleg A Dyachenko

Affiliation

¹ Institute of Problems of Chemical Physics, Russian Academy of Sciences, Semenov Av. 1, 142432 Chernogolovka, Moscow Region, Russia.

PMID: 21158466
DOI: 10.1021/ic101168b

Abstract

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.