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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)

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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)
 
Creator SAHOO, S
REDDY, KHK
DHAYAL, RS
MOBIN, SM
RAMKUMAR, V
JEMMIS, ED
GHOSH, S
 
Subject organotransition-metal metallacarboranes
effective core potentials
triple-decker sandwiches
high-yield synthesis
x = br
molecular calculations
crystal-structures
cp-asterisk
carborane
complexes
 
Description 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.
 
Publisher AMER CHEMICAL SOC
 
Date 2011-07-13T19:36:25Z
2011-12-26T12:48:03Z
2011-12-27T05:43:45Z
2011-07-13T19:36:25Z
2011-12-26T12:48:03Z
2011-12-27T05:43:45Z
2009
 
Type Article
 
Identifier INORGANIC CHEMISTRY, 48(14), 6509-6516
0020-1669
http://dx.doi.org/10.1021/ic900467d
http://dspace.library.iitb.ac.in/xmlui/handle/10054/3752
http://hdl.handle.net/10054/3752
 
Language en