Synthesis and reactivity of dimolybdathiaborane cluster [(Cp^*Mo)₂B₄SH₆] (Cp^∗ = η⁵-C₅Me₅)

Chemistry and reactivity of dimolybdathiaborane, [(Cp∗Mo)2B4SH6], 1, obtained from the reaction of 2-mercaptobenzothiazole, [Cp∗MoCl4] and [LiBH4.thf], has been explored with dinuclear metal carbonyl [Fe2 (CO)9]. As a result, reaction of 1 with [Fe2(CO)9] yielded heterometallathiaborane, [(Cp∗Mo)2B4H6SFe(CO)3], 2 in good yield. Both the new compounds have been characterized in solution by 1H, 11B and 13C NMR spectroscopy and the structural types were unequivocally established by X-ray crystallographic analysis of compound 2. Cluster 2 has a bicapped octahedral geometry with the {Fe(CO)3} fragment occupying one of the high-connectivity cluster vertexes rather than a capping position. Interestingly, cluster 1 undergoes geometric changes (bicapped trigonal bipyramid → bicapped octahedron) on the addition of two-electron {Fe(CO)3} fragment to 1