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Electron-Deficient and Polycenter Bonds in the High-Pressure gamma-B-28 Phase of Boron

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Mondal, Swastik [University of Bayreuth (Germany)] van Smaalen, Sander [University of Bayreuth (Germany)] Schoenleber, Andreas [University of Bayreuth (Germany)] Filinchuk, Yaroslav [UCL] Chernyshov, Dmitry [Swiss-Norvegian Beam Lines, Grenoble (France)] Dubrovinskaia, Natalia [University of Bayreuth (Germany)]

The peculiar bonding situation in gamma boron is characterized on the basis of an experimental electron-density distribution which is obtained by multipole refinement against low-temperature single-crystal x-ray diffraction data. A topological analysis of the electron-density distribution reveals one-electron-two-center bonds connecting neighboring icosahedral B-12 clusters. A unique polar-covalent two-electron-three-center bond between a pair of atoms of an icosahedral cluster and one atom of the interstitial B-2 dumbbell explains the observed charge separation in this high-pressure high-temperature polymorph of boron.

Document type Article de périodique (Journal article) – Article de recherche
Access type Accès restreint
Publication date 2011
Language Anglais
Journal information "Physical Review Letters" - Vol. 106, no. 21, p. 215502 (2011)
Peer reviewed yes
Publisher American Physical Society ((United States) [S.l.])
issn 0031-9007
e-issn 1079-7114
Publication status Publié
Affiliation UCL - SST/IMCN/MOST - Molecules, Solids and Reactivity
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Bibliographic reference Mondal, Swastik ; van Smaalen, Sander ; Schoenleber, Andreas ; Filinchuk, Yaroslav ; Chernyshov, Dmitry ; et. al. Electron-Deficient and Polycenter Bonds in the High-Pressure gamma-B-28 Phase of Boron. In: Physical Review Letters, Vol. 106, no. 21, p. 215502 (2011)
Permanent URL http://hdl.handle.net/2078/75808