Journal
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
Volume 3, Issue 22, Pages 3335-3337Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jz3015748
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Funding
- CNCSIS-UEFISCDI [PNII-ID_PCCE_129/2008]
- U.S. National Science Foundation [CHE-1057466]
- Division Of Chemistry
- Direct For Mathematical & Physical Scien [1057466] Funding Source: National Science Foundation
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We propose that the global minimum structure of the Au-10(2+) system has a highly symmetrical tetrahedral geometry and is clearly separated from the other isomers by a high relative energy gap. The large highest occupied molecular orbital-to-lowest unoccupied molecular orbital (HOMO-LUMO) gap as well as the superatom and spherical aromatic characters account for the high stability of this T-d Au-10(2+) geometry.
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