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 |
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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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