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Isoelectronic substitution from Si52− to Al5H52−: Exploration of the series Si5−n(AlH)n2− (n = 0–5).
- Source :
-
Chemical Physics Letters . Mar2016, Vol. 647, p150-156. 7p. - Publication Year :
- 2016
-
Abstract
- We established that the transformation from Si 5 2− to Al 5 H 5 2− could be possible by the successive isoelectronic substitution of silicon atoms by Al H units. The potential energy surfaces for the series Si 5− n (AlH) n 2− ( n = 0–5) systems were explored in detail, and the global minima maintained the same overall deltahedral structure as the one of the Si 5 2− cluster. The conservation of the overall structure upon isoelectronic substitution was proven to happen due to the preservation of the chemical bonding pattern. Theoretical VDEs were calculated for the series LiSi 5− n (AlH) n − ( n = 1–4) systems to facilitate their experimental detection. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 00092614
- Volume :
- 647
- Database :
- Academic Search Index
- Journal :
- Chemical Physics Letters
- Publication Type :
- Academic Journal
- Accession number :
- 113373738
- Full Text :
- https://doi.org/10.1016/j.cplett.2016.01.062