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- Title
Bonding analysis for NgAuOH (Ng = Kr, Xe).
- Authors
Zhang, Ping Xia; Zhao, Yong Fang; Hao, Feng You; Li, Xin Ying
- Abstract
Noble-gas-noble-metal hydroxides NgAuOH (Ng = Kr, Xe) are investigated at the MP2 theoretical level. All species are found to be in Cs symmetry with an approximate linear Ng&bond;Au&bond;O moiety. The noble-gas-noble-metal bond lengths are comparable with covalent limits, and the corresponding binding energies have been computed to be 59.6 and 83.4 kJ/mol for KrAuOH and XeAuOH, respectively. Except the charge-induced dipole contribution to the binding energies, the remainder could be ascribed to the higher-order charge-induction energies, dispersion energies, the contributions of multipole moments on AuOH and covalent effects. The title species are sufficiently chemical bound and are expected to be stable species theoretically. © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2008
- Subjects
HYDROXIDES; FORCE &; energy; NOBLE gases; QUANTUM chemistry; WILEY Periodicals Inc.
- Publication
International Journal of Quantum Chemistry, 2008, Vol 108, Issue 5, p937
- ISSN
0020-7608
- Publication type
Article
- DOI
10.1002/qua.21561