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Please use this identifier to cite or link to this item: http://dspace.library.iitb.ac.in/jspui/handle/10054/3752

Title: Chlorinated Hypoelectronic Dimetallaborane Clusters: Synthesis, Characterization, and Electronic Structures of (eta(5)-C(5)Me(5)W)(2)B(5)H(n)Cl(m) (n=7, m=2 and n=8, m=1)
Authors: SAHOO, S
REDDY, KHK
DHAYAL, RS
MOBIN, SM
RAMKUMAR, V
JEMMIS, ED
GHOSH, S
Keywords: organotransition-metal metallacarboranes
effective core potentials
triple-decker sandwiches
high-yield synthesis
x = br
molecular calculations
crystal-structures
cp-asterisk
carborane
complexes
Issue Date: 2009
Publisher: AMER CHEMICAL SOC
Citation: INORGANIC CHEMISTRY, 48(14), 6509-6516
Abstract: Pyrolysis of (eta(5)-C(5)Me(5)WH(3))B(4)H(8), 1, in the presence of excess BHCl(2) center dot SMe(2) in toluene at 100 degrees C led to the isolation of (eta(5)-C(5)Me(5)W)(2)B(5)H(9), 2, and B-Cl inserted (eta(5)-C(5)Me(5)W)(2)B(5)H(8)Cl, 3, and (eta(5)-C(5)Me(5)W)(2)B(5)H(7)Cl(2), (four isomers). All the Chlorinated tungstaboranes were isolated as red and air and moisture sensitive solids. These new compounds have been characterized in solution by (1)H, (11)B, (13)C NMR, and the structural types were unequivocally established by crystallographic analysis of compounds 3, 4, and 7. Density functional theory (DFT) calculations were carded out on the model molecules of 3-7 to elucidate the actual electronic structures of these chlorinated species. On grounds of DFT calculations we demonstrated the role of transition metals, bridging hydrogens, and the effect of electrophilic substitution of hydrogens at B-H vertices of metallaborane structures.
URI: http://dx.doi.org/10.1021/ic900467d
http://dspace.library.iitb.ac.in/xmlui/handle/10054/3752
http://hdl.handle.net/10054/3752
ISSN: 0020-1669
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