Comparative investigations of electronic structure of 6.9-bis-(dimethylsulfide)-arachno-decaborane (12) B10H12(S(CH3)2)2 in the series of sulfide derivatives of sulfur by the X-ray emission method

Electronic structure of the B10H12(S(CH3)2)2 complex is studied through the roentgenospectroscopic method. The quantum-chemical calculation in the MNDO approximation is carried out. The structure of the (CH3)2S molecular orbitals and (B10H12) borane cluster in isolated state is given. It is shown that occupied orbitals of the (B10H12) acceptor play an important role in formation of chemical bonds. Comparison of the sulfur atom electronic state in the H2S-(CH3)2S-B10H12(S(CH3)2)2 series with that one in the BgSH2 anion-thiaborate arachano-cluster is carried out. It is established that participation of unshared electron pairs of sulfur atom in interaction with borane cluster is observed in the B10H12(S(CH3)2)2 compound and B9SH12 ion