Icosahedral $B_{12}$, macropolyhedral boranes, $_\beta$-rhombohedral boron and boron-rich solids

Jemmis, Eluvathingal D and Prasad, Dasari LVK (2006) Icosahedral $B_{12}$, macropolyhedral boranes, $_\beta$-rhombohedral boron and boron-rich solids. In: Journal of Solid State Chemistry, 179 (9). pp. 2768-2774.

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Abstract

The preference for icosahedral $B_{12}$ amongst polyhedral boranes and elemental boron is explained based on an optimization of overlap model. The ingenious ways in which elemental boron and boron-rich solids achieve icosahedron-related structures are explained by a fragment approach. The Jemmis mno rules are used to get the electron requirements. The extra occupancies and vacancies in $_\beta$-rhombohedral structures are shown to be inevitable results of electron requirements. The detailed understanding of the structure suggests ways of doping $_\beta$-rhombohedral boron with metals for desired properties. Theoretical studies of model $_\beta$-rhombohedral solids with metal dopings provide support for the analysis.

Item Type:	Journal Article
Publication:	Journal of Solid State Chemistry
Publisher:	Elsevier
Additional Information:	Copyright of this article belongs to Elsevier.
Keywords:	Electron counting rules;Wade’s n+1 rules;Jemmis mno rule; Macro-polyhedral boranes;Boron;Boron-rich solids;a-rhombohedral boron;b-rhombohedral boron.
Department/Centre:	Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited:	27 Nov 2007
Last Modified:	19 Sep 2010 04:32
URI:	http://eprints.iisc.ac.in/id/eprint/8751

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