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Synthesis and study of C-substituted methylthio derivatives of cobalt bis(dicarbollide)

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Abstract

The C-methylthio derivatives of cobalt bis(dicarbollide) were synthesized by reaction of anhydrous CoCl2 with nido-carborane [7-MeS-7,8-C2B9H11] and isolated as a mixture of rac-[1,1′-(MeS)2-3,3′-Co(1,2-C2B9H10)2] and meso-[1,2′-(MeS)2-3,3′-Co(1,2-C2B9H10)2] isomers. The structures of both isomers were studied using DFT quantum chemical calculations. The most preferable geometry of rotamers and the stabilization energy of C-methylthio derivatives of cobalt bis(dicarbolide) were calculated. The (BEDT-TTF)[1,1′-(MeS)2-3,3′-Co(1,2-C2B9H10)2] salt was prepared and its structure was determined by single crystal X-ray diffraction. The cisoid conformation of the rac-[1,1′-(MeS)2-3,3′-Co(1,2-C2B9H10)2] anion is stabilized by short intramolecular CH⋯S hydrogen and BH⋯S chalcogen bonds between the dicarbollide ligands, that is in good agreement with the data of quantum chemical calculations.

Graphical abstract: Synthesis and study of C-substituted methylthio derivatives of cobalt bis(dicarbollide)

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Supplementary files

Article information


Submitted
18 Oct 2019
Accepted
23 Dec 2019
First published
16 Jan 2020

This article is Open Access

RSC Adv., 2020,10, 2887-2896
Article type
Paper

Synthesis and study of C-substituted methylthio derivatives of cobalt bis(dicarbollide)

M. Yu. Stogniy, O. N. Kazheva, D. M. Chudak, G. V. Shilov, O. A. Filippov, I. B. Sivaev, A. V. Kravchenko, V. A. Starodub, L. I. Buravov, V. I. Bregadze and O. A. Dyachenko, RSC Adv., 2020, 10, 2887
DOI: 10.1039/C9RA08551C

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