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Please use this identifier to cite or link to this item: http://dspace.library.iitb.ac.in/jspui/handle/10054/4154

Title: Vertex-Fused Metallaborane Clusters: Synthesis, Characterization and Electronic Structure of [(eta(5)-C(5)Me(5)Mo)(3)MoB(9)H(18)]
Authors: DHAYAL, RS
SAHOO, S
REDDY, KHK
MOBIN, SM
JEMMIS, ED
GHOSH, S
Keywords: effective core potentials
arachno-carborane anions
molecular calculations
macropolyhedral boranes
13-vertex carborane
crystal-structures
transition-metals
nido-carborane
pair approach
main-group
Issue Date: 2010
Publisher: AMER CHEMICAL SOC
Citation: INORGANIC CHEMISTRY, 49(3), 900-904
Abstract: The reaction of the [(eta(5)-C(5)Me(5))MoCl(4)] complex with [LiBH4 - TH F] 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,
URI: http://dx.doi.org/10.1021/ic901481q
http://dspace.library.iitb.ac.in/xmlui/handle/10054/4154
http://hdl.handle.net/10054/4154
ISSN: 0020-1669
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