NDLI: Synthesis, Characterization and Electronic Structures of Rh and Co analogs of Decaborane-14

Content Provider	Springer Nature Link
Author	Roy, Dipak Kumar Ghosh, Sundargopal Mobin, Shaik M. Sharmila, Dudekula Chakrahari, Kiran Kumarvarma Barik, Subrat Kumar Ramalakshmi, Rongala
Copyright Year	2014
Abstract	We report the synthesis, isolation and structural characterization of several crystalline, moderately air stable nido-metallaboranes which represent novel metal rich open cage systems. The reaction of [Cp$^{}$CoCl]$_{2}$, (Cp$^{}$ = η $^{5}$-C$_{5}$Me$_{5}$), with [LiBH$_{4}$·thf] in toluene at −78 °C, followed by thermolysis with [BH$_{3}$·thf] in boiling toluene yielded clusters, [(Cp$^{}$Co)$_{3}$B$_{6}$H$_{8}$O] (1) and [(Cp$^{}$Co)$_{2}$B$_{8}$H$_{11}$Me] (2). Under the similar reaction condition, [Cp$^{}$RhCl$_{2}$]$_{2}$ yielded [(Cp$^{}$Rh)$_{3}$B$_{7}$H$_{11}$] (3) and [(Cp$^{*}$Rh)$_{2}$B$_{8}$H$_{12}$] (4). All the new compounds, 1–4 have been characterized by elemental analysis, IR, $^{1}$H, $^{11}$B, $^{13}$C NMR spectroscopy, and the geometric structures were unequivocally established by X-ray diffraction analysis of compound 1–4. Quantum chemical calculation by using density functional theory method is implemented on model compounds 1′–4′ (1′–4′ are the Cp analogs of 1–4 respectively, Cp = C$_{5}$H$_{5}$) and yields geometries in agreement with the X-ray detaermined geometries. Large HOMO–LUMO gaps are in tally with the higher stabilities of 1′ and 3′.
Starting Page	121
Ending Page	130
Page Count	10
File Format	PDF
ISSN	03698203
Journal	Proceedings of the National Academy of Sciences, India Section A: Physical Sciences
Volume Number	84
Issue Number	2
e-ISSN	22501762
Language	English
Publisher	Springer India
Publisher Date	2014-03-01
Publisher Place	India
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Boron Applied and Technical Physics Nido Rhodium Metallaborane Atomic, Molecular, Optical and Plasma Physics Quantum Physics Cobalt Physics
Content Type	Text
Resource Type	Article
Subject	Physics and Astronomy Biochemistry, Genetics and Molecular Biology

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