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

Published inPCCP. Physical chemistry chemical physics, vol. 6, no. 11, p. 2904-2906
Publication date2004
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+3Au2MAu12 is strongly exothermic.

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GAGLIARDI, Laura, PYYKKÖ, Pekka. Study of the MAu6 (M=Cr, Mo, W) molecular species: A transition from halogenlike to hydrogenlike chemical behavior for gold. In: PCCP. Physical chemistry chemical physics, 2004, vol. 6, n° 11, p. 2904–2906. doi: 10.1039/b404255g
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ISSN of the journal1463-9076
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