Study of the MAu6 (M = Cr, Mo, W) molecular species: A transition from halogenlike to hydrogenlike chemical behavior for gold

Laura Gagliardi, Pekka Pyykkö

Research output: Contribution to journalArticlepeer-review

20 Scopus citations

Abstract

Quantum chemical calculations suggest that a series of molecules with the general formula MAu6 are stable, where M is a a group 6 atom, Cr, Mo, W, respectively. These species have a structure analogous to the corresponding MH6 compounds, while they differ from the MX6, where X is a halogen. The further reaction MAu6 + 3Au2 → MAu12 is strongly exothermic.

Original languageEnglish (US)
Pages (from-to)2904-2906
Number of pages3
JournalPhysical Chemistry Chemical Physics
Volume6
Issue number11
DOIs
StatePublished - Jun 7 2004

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