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Coupling nitrosyls as the first step in the reduction of NO on metal surfaces : the special role of rhodium

Ward, Thomas R. and Hoffmann, Roald and Shelef, Mordecai. (1993) Coupling nitrosyls as the first step in the reduction of NO on metal surfaces : the special role of rhodium. Surface science, Vol. 289, H. 1/2. pp. 85-99.

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Official URL: http://edoc.unibas.ch/dok/A5254505

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Abstract

The adsorption of NO and its coupling to yield N2O2 on Rh(100), Pd(100) and Pt(100) surfaces is analyzed using extended Hueckel calcns. It appears that the Blyholder model is a valid description of the chemisorption of NO on Rh(100). There is substantial weakening of the NO bond on this surface. However, in the case of Pd(100) and Pt(100), the N-O overlap population increases upon chemisorption. For some of the geometries studied, the results indicate that for rhodium surfaces the coupled product has significant N-N double bond character, best described by the 6?Ä electron system, hyponitrite. For rhodium surfaces the dimerization of chemisorbed NO seems to be a viable initial step in the NO redn. mechanism. [on SciFinder(R)]
Faculties and Departments:05 Faculty of Science > Departement Chemie > Chemie > Bioanorganische Chemie (Ward)
UniBasel Contributors:Ward, Thomas R. R.
Item Type:Article, refereed
Article Subtype:Research Article
Bibsysno:Link to catalogue
Publisher:Elsevier
ISSN:0039-6028
Note:Publication type according to Uni Basel Research Database: Journal article
Last Modified:22 Mar 2012 14:29
Deposited On:22 Mar 2012 14:07

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