A surface site as polydentate ligand of a metal complex: Density functional studies of rhenium subcarbonyls supported on magnesium oxide

Journal Article · Wed May 12 04:00:00 EDT 1999 · Journal of the American Chemical Society

DOI:https://doi.org/10.1021/ja990083n· OSTI ID:684317

Hu, A; Neyman, K M; Staufer, M; Belling, T; Gates, B C; Roesch, N ^[1]

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1. Technische Universitaet Muenchen, Garching (Germany). Lehrstuhl fuer Theoretische Chemie

Notwithstanding the importance of supported organometallic species as industrial catalysts, most are nonuniform mixtures, with only a few being well-characterized at the atomic level. Rhenium subcarbonyls on MgO, in contrast, consist of nearly uniform surface species and are among the best-studied organometallic complexes on oxides. EXAFS and infrared spectra showed that decomposition of the precursors [HRe(CO){sub 5}], [H{sub 3}Re{sub 3}(CO){sub 12}], and [Re{sub 2}(CO){sub 10}] on MgO powder results in fragments, assigned as Re(CO){sub 3}{sup n+}, coordinated to surface ligands. The concept of a surface site as a polydentate ligand evokes the remarkable circumstance in which the adsorbate-substrate bonds are as strong as metal-ligand bonds in common transition metal complexes, as shown by the present investigation.

• Sponsoring Organization: Alexander von Humboldt-Stiftung, Bonn (Germany); USDOE, Washington, DC (United States); Deutsche Forschungsgemeinschaft, Bonn (Germany)
• OSTI ID: 684317
• Journal Information: Journal of the American Chemical Society, Journal Name: Journal of the American Chemical Society Journal Issue: 18 Vol. 121; ISSN JACSAT; ISSN 0002-7863
• Country of Publication: United States
• Language: English

Related Subjects

40 CHEMISTRY
CARBONYLS
CATALYSTS
LIGANDS
MAGNESIUM OXIDES
MATHEMATICAL MODELS
RHENIUM
STRUCTURAL MODELS