Synthesis, characterization and electronic structures of Rh and Co analogs of Decaborane-14

Barik, Subrat Kumar ; Roy, Dipak Kumar ; Sharmila, Dudekula ; Ramalakshmi, Rongala ; Chakrahari, Kiran Kumarvarma ; Mobin, Shaik M. ; Ghosh, Sundargopal (2014) Synthesis, characterization and electronic structures of Rh and Co analogs of Decaborane-14 Proceedings of the National Academy of Sciences, India Section A: Physical Sciences, 84 (2). pp. 121-130. ISSN 0369-8203

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Official URL: https://link.springer.com/article/10.1007/s40010-0...

Related URL: http://dx.doi.org/10.1007/s40010-013-0111-7

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* = η5-C5Me5), with [LiBH4·thf] in toluene at −78 °C, followed by thermolysis with [BH3·thf] in boiling toluene yielded clusters, [(Cp*Co)3B6H8O] (1) and [(Cp*Co)2B8H11Me] (2). Under the similar reaction condition, [Cp*RhCl2]2 yielded [(Cp*Rh)3B7H11] (3) and [(Cp*Rh)2B8H12] (4). All the new compounds, 1–4 have been characterized by elemental analysis, IR, 1H, 11B, 13C 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 = C5H5) 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′.

Item Type:Article
Source:Copyright of this article belongs to Springer Verlag.
Keywords:Metallaborane; Boron; Nido; Rhodium; Cobalt
ID Code:110873
Deposited On:31 Jan 2018 12:31
Last Modified:31 Jan 2018 12:31

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