Vertex-Fused Metallaborane Clusters: Synthesis, Characterization and Electronic Structure of [(eta(5)-C(5)Me(5)Mo)(3)MoB(9)H(18)]
DSpace at IIT Bombay
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Title |
Vertex-Fused Metallaborane Clusters: Synthesis, Characterization and Electronic Structure of [(eta(5)-C(5)Me(5)Mo)(3)MoB(9)H(18)]
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Creator |
DHAYAL, RS
SAHOO, S REDDY, KHK MOBIN, SM JEMMIS, ED GHOSH, S |
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Subject |
effective core potentials
arachno-carborane anions molecular calculations macropolyhedral boranes 13-vertex carborane crystal-structures transition-metals nido-carborane pair approach main-group |
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Description |
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,
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Publisher |
AMER CHEMICAL SOC
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Date |
2011-07-15T04:33:28Z
2011-12-26T12:49:15Z 2011-12-27T05:35:03Z 2011-07-15T04:33:28Z 2011-12-26T12:49:15Z 2011-12-27T05:35:03Z 2010 |
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Type |
Article
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Identifier |
INORGANIC CHEMISTRY, 49(3), 900-904
0020-1669 http://dx.doi.org/10.1021/ic901481q http://dspace.library.iitb.ac.in/xmlui/handle/10054/4154 http://hdl.handle.net/10054/4154 |
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Language |
en
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