Vertex-fused metallaborane clusters: synthesis, characterization and electronic structure of [(eta5-C5Me5Mo)3MoB9H18].
The reaction of the [(eta(5)-C(5)Me(5))MoCl(4)] complex with [LiBH(4).THF] in toluene at -70 degrees C, followed by pyrolysis at 110 degrees C, afforded dark brown [(eta(5)-C(5)Me(5)Mo)(3)MoB(9)H(18)], 2, in parallel with the known [(eta(5)-C(5)Me(5)Mo)(2)B(5)H(9)], 1. Compound 2 has been characterized in solution by (1)H, (11)B, and (13)C NMR spectroscopy and elemental analysis, and the structural types were unequivocally established 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 geometries in agreement with the structure determinations, and on grounds of density functional theory calculations, we have analyzed the bonding patterns in the structure.
Dhayal
Rajendra S
RS
Department of Chemistry, Indian Institute of Technology Madras, Chennai 600 036, India.
Sahoo
Satyanarayan
S
Reddy
K Hari Krishna
KH
Mobin
Shaikh M
SM
Jemmis
Eluvathingal D
ED
Ghosh
Sundargopal
S