Synthesis and reactivity of dimolybdathiaborane cluster [(Cp∗Mo)2B4SH6] (Cp∗ = η 5-C5Me5)

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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. Dimolybdathiaborane, [(Cp∗Mo)2B4SH6] has been synthesized in high yield from the reaction of 2-mercaptobenzothiazole, [Cp∗MoCl4], (Cp∗ = η5-C5Me5) and [LiBH4.thf]. Further, reaction of [(Cp∗Mo)2B4SH6] with [Fe2(CO)9] yielded [(Cp∗Mo)2B4H6SFe(CO)3] with a bicapped octahedral geometry, where the {Fe(CO)3} fragment occupies the high-connectivity cluster vertex.