1. Vertex-Fused Metallaborane Clusters: Synthesis, Characterization and Electronic Structure of [(η5-C5Me5Mo)3MoB9H18].
- Author
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DhayaI, Rajendra S., Sahoo, Satyanarayan, Reddy, K. Hari Krishna, Mobin, Shaikh M., Jemmis, Eluvathingal D., and Ghosh, Sundargopal
- Subjects
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BORANES , *TOLUENE , *PYROLYSIS , *ELECTRONIC structure , *DENSITY functionals , *CHEMICAL bonds , *X-ray diffraction - Abstract
The reaction of the [(η5-C5Me5)MoCl4] complex with [LiBH4·THF] in toluene at -70 °C, followed by pyrolysis at 110 °C, afforded dark brown [(η5-C5Me5Mo)3MoB9H18], 2, in arallel with Ihe known [(η5-C5Me5Mo)2B5H9], 1. Compound 2 has been charactedzed in solution by ¹H, 11B, and 13C NMR spectroscopy and elemental analysis, and the structural types were unequivocally eslablished by crystallographic studies. The title compound represents a novel class of vertex-fused clusters in which a Mo atom has been fused in a perpendicular fashion between two molybdaborane clusters. Electronic structure calculations employing density functional theory yield geometdes in agreement with the structure determinations, and on grounds of density functional theory calculations, we have analyzed the bonding patterns in the structure. [ABSTRACT FROM AUTHOR]
- Published
- 2010
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