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Desulfurization of thiophenic compounds by Ni(111): Adsorption and reactions of thiophene, 3-methylthiophene, and 2,5-dimethylthiophene

Journal Article · · Journal of Physical Chemistry
DOI:https://doi.org/10.1021/jp962825u· OSTI ID:437424
; ;  [1]
  1. Oak Ridge National Lab., TN (United States)
The adsorption and reactivity of thiophene, 2,5-dimethylthiophene, and 3-methylthiophene on Ni(111) have been examined. The saturation coverages of the three molecules are similar, about 0.13 monolayer (ML), and in all cases alkenes are the major hydrocarbon products. On initially clean surfaces, decomposition to sulfur, carbon and hydrogen is the major pathway, but the selectivity to hydrocarbon production can be enhanced by a factor of about 3 by predosing the surface with hydrogen. Sulfur is easily removed from the ring, and C-S bond scission is complete by 150 K. The rate-limiting step in alkene formation is hydrogenation of a highly unsaturated hydrocarbon intermediate. The hydrocarbon intermediates formed are difficult to unambiguously identify but are most likely cyclic structures, retaining the C{sub 4} framework. 44 refs., 9 figs., 1 tab.
DOE Contract Number:
AC05-96OR22464
OSTI ID:
437424
Journal Information:
Journal of Physical Chemistry, Journal Name: Journal of Physical Chemistry Journal Issue: 50 Vol. 100; ISSN JPCHAX; ISSN 0022-3654
Country of Publication:
United States
Language:
English