Electron-Deficient and Polycenter Bonds in the High-Pressure gamma-B-28 Phase of Boron
(2011) Physical Review Letters — Vol. 106, n° 21, p. 215502 (2011)
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- Abstract
- 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.
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Mondal, S., van Smaalen, S., Schoenleber, A., Filinchuk, Y., Chernyshov, D., Simak, S. I., Mikhaylushkin, A. S., Abrikosov, I. A., Zarechnaya, E., Dubrovinsky, L., & Dubrovinskaia, N. (2011). Electron-Deficient and Polycenter Bonds in the High-Pressure gamma-B-28 Phase of Boron. Physical Review Letters, 106(21), 215502. https://doi.org/10.1103/PhysRevLett.106.215502 (Original work published 2011)