A normal coordinate analysis of the di-iminium species formed by the reaction of cyanogen (C2N2) and hydrogen on Pt(111)

被引:8
作者
Mills, P [1 ]
Jentz, D [1 ]
Trenary, M [1 ]
机构
[1] UNIV ILLINOIS,DEPT CHEM,CHICAGO,IL 60607
基金
美国国家科学基金会;
关键词
construction and use of effective interatomic interactions; cyanogen; hydrogen; infrared absorption spectroscopy; platinum; surface chemical reaction; vibrations of adsorbed molecules;
D O I
10.1016/S0039-6028(96)01074-6
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Normal-mode calculations were used to analyze the reflection absorption infrared spectra of six hydrogenated cyanogen (C2N2) isotopomers formed by the reactions of C-12(2) N-14(2), C-12(2) N-15(2) and C-13(2) N-14(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=NH2)-like functionalities and a high degree of symmetry. The calculations identify mu(2), eta(2)-diaminoethylene (H2NC=CNH2), bonding to the surface with a parallel di-metalated olefin geometry, as the most likely hydrogenation product of cyanogen on Pt(111).
引用
收藏
页码:348 / 353
页数:6
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