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THE LOCAL GEOMETRY OF REACTANT AND PRODUCT IN A SURFACE-REACTION - THE DEHYDROGENATION OF ADSORBED ETHYLENE ON NI(III)
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UNSPECIFIED (1995) THE LOCAL GEOMETRY OF REACTANT AND PRODUCT IN A SURFACE-REACTION - THE DEHYDROGENATION OF ADSORBED ETHYLENE ON NI(III). Surface Science, 323 (1-2). pp. 19-29. ISSN 0039-6028.
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Abstract
Using Cls scanned-energy mode photoelectron diffraction based both on approximate ''direct'' methods and full multiple scattering modelling of spectra recorded in different emission angles covering a total spectral data range of 1200 eV, the local geometry of adsorbed ethylene and adsorbed acetylene on Ni(lll) have been determined in a detailed quantitative fashion. Ethylene adsorbed at low temperature (120 K) lies with its C-C axis parallel to the surface and in an aligned bridge site such that the C atoms lie approximately atop Ni atoms. Heating this surface leads to dehydrogenation of the adsorbed ethylene to adsorbed acetylene, and white the C-C axis remains parallel to the surface, the C-C bondlength and C-Ni layer spacing are reduced, and the acetylene occupies a cross-bridge site with the C atoms directly above inequivalent hollow sites on the surface. Both adsorbed species show C-C bondlengths larger than those of the associated gas-phase molecules, indicating a significant reduction of C-C bond order, in agreement with vibrational spectroscopic data. Possible geometrical reaction paths based on a concerted mechanism connecting the reactant and product are discussed.
Item Type: | Journal Article | ||||
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Subjects: | Q Science > QD Chemistry Q Science > QC Physics |
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Journal or Publication Title: | Surface Science | ||||
Publisher: | ELSEVIER SCIENCE BV | ||||
ISSN: | 0039-6028 | ||||
Official Date: | 10 January 1995 | ||||
Dates: |
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Volume: | 323 | ||||
Number: | 1-2 | ||||
Number of Pages: | 11 | ||||
Page Range: | pp. 19-29 | ||||
Publication Status: | Published |
Data sourced from Thomson Reuters' Web of Knowledge
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