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Identification of an Eight-Electron Superatomic Cluster and Its Alloy in One Co-crystal Structure.
- Source :
-
Journal of Cluster Science . Sep2018, Vol. 29 Issue 5, p827-835. 9p. - Publication Year :
- 2018
-
Abstract
- Herein we report a crystal structure of [Au0.5Ag0.5@Ag20{S2P(OiPr)2}12](PF6) [Cl@Ag8{S2P(OiPr)2}6](PF6) (1), which compositions were supported by positive-mode electrospray ionization mass spectrometry. The structural elucidation indicates that the encapsulated atom of an Ag13 the entered icosahedron can be replaced by a gold atom. Surprisingly, the capping Ag atoms on the surface of an icosahedron in 1 reveal a different arrangement from the previously reported [Ag21{S2P(OiPr)2}12](PF6) of C3 symmetry. Besides, the preference for the central silver atom being oxidized by Au(I) is rationalized by the DFT calculations on three different computed [AuAg20{S2PH2}12]+ models having C1, C3, and T symmetry, respectively. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 10407278
- Volume :
- 29
- Issue :
- 5
- Database :
- Academic Search Index
- Journal :
- Journal of Cluster Science
- Publication Type :
- Academic Journal
- Accession number :
- 131837815
- Full Text :
- https://doi.org/10.1007/s10876-018-1353-y