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Gas phase surface-catalyzed HCl addition to vinylacetylene: motion along a catalytic surface. Experiment and theory |
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| Authors: | Linda M. Mascavage Philip E. Sonnet |
| Affiliation: | a Department of Chemistry, Arcadia University, Glenside, PA 19038, USA b Department of Chemistry, Temple University, Philadelphia, PA 19122, USA c Process Analytical Technology, Merck and Co., Inc., WP78-110, PO Box 4, West Point, PA 19486-0004, USA |
| Abstract: | Gaseous mixtures of HCl and vinylacetylene were permitted to react in Pyrex IR cells (NaCl windows). Gaseous 4-chloro-1,2-butadiene and 2-chloro-1,3-butadiene (chloroprene) were the major products. Kinetic data (FTIR) generated a rate expression in concert with surface catalysis. Computational studies involving surface associated water provide a view that accounts for the experimentally determined orders and a bifurcated pathway producing both products. The results are in accord with wall-adsorbed reactant(s) as well as previously reported computational studies on the reactants. |
| Keywords: | Electrophilic addition Alkenes Alkynes FTIR |
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