A normal coordinate analysis of the di-iminium species formed by the reaction of cyanogen (C 2N 2) and hydrogen on Pt(111)

Normal-mode calculations were used to analyze the reflection absorption infrared spectra of six hydrogenated cyanogen (C 2N 2) isotopomers formed by the reactions of 12C 2 14N 2, 12C 2 15N 2 and 13C 2 14N 2 with H 2 and D 2 on Pt(111) at 300 K. The small number of observed IR bands and their respect...

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Bibliographic Details
Published in:Surface science 1996-12, Vol.368 (1), p.348-353
Main Authors: Mills, P., Jentz, D., Trenary, M.
Format: Article
Language:English
Subjects:
Applied sciences
Chemistry
Construction and use of effective interatomic interactions
Cyanogen
Exact sciences and technology
General and physical chemistry
Hydrogen
Infrared absorption spectroscopy
Metals. Metallurgy
Platinum
Solid-gas interface
Surface chemical reaction
Surface physical chemistry
Vibrations of adsorbed molecules
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Summary:Normal-mode calculations were used to analyze the reflection absorption infrared spectra of six hydrogenated cyanogen (C 2N 2) isotopomers formed by the reactions of 12C 2 14N 2, 12C 2 15N 2 and 13C 2 14N 2 with H 2 and D 2 on Pt(111) at 300 K. The small number of observed IR bands and their respective frequencies are consistent with the adsorbate containing two equivalent iminium (CNH 2)-like functionalities and a high degree of symmetry. The calculations identify μ 2, η 2-diaminoethylene (H 2NCCNH 2), bonding to the surface with a parallel di-metalated olefin geometry, as the most likely hydrogenation product of cyanogen on Pt(111).
ISSN:0039-6028
1879-2758
DOI:10.1016/S0039-6028(96)01074-6