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Ambrish Kumar Srivastava and Neeraj Misra Ab initio investigations on the stabilities of AuOnq− (q = 0 to 3; n = 1 to 4) species: Superhalogen behavior of AuOn (n ≥ 2) and their interactions with an alkali metal International Journal of Quantum Chemistry 114

Version of Record online: 17 DEC 2013 | DOI: 10.1002/qua.24599

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AuOn molecular complexes behave as superhalogens for n ≥ 2. Theoretical calculations show that Au can bind with four O atoms and form stable AuOnq species, where q = 0–3, suggesting that gold could assume a maximum oxidation state of +7. However, the AuOn superhalogen species interacts with alkali metals to form stable KAuOn complexes, de facto tapping the oxidation state of Au to +5.

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