Vibrational mode and collision energy effects on reaction of H{sub 2}CO{sup +} with C{sub 2}D{sub 4}
- Department of Chemistry, University of Utah, Salt Lake City, Utah 84112 (United States)
We report the effects of collision energy (E{sub col}) and five different H{sub 2}CO{sup +} vibrational modes on the reaction of H{sub 2}CO{sup +} with C{sub 2}D{sub 4} over the center-of-mass E{sub col} range from 0.1 to 2.1 eV. Properties of various complexes and transition states were also examined computationally. Seven product channels are observed. Charge transfer (CT) has the largest cross section over the entire energy range, substantially exceeding the hard sphere cross section at high energies. Competing with CT are six channels involving transfer of one or more hydrogen atoms or protons and one involving formation of propanal, followed by hydrogen elimination. Despite the existence of multiple deep wells on the potential surface, all reactions go by direct mechanisms, except at the lowest collision energies, where short-lived complexes appear to be important. Statistical complex decay appears adequate to account for the product branching at low collision energies, however, even at the lowest energies, the vibrational effects are counter to statistical expectations. The pattern of E{sub col} and vibrational mode effects provide insight into factors that control reaction and interchannel competition.
- OSTI ID:
- 20658137
- Journal Information:
- Journal of Chemical Physics, Vol. 121, Issue 23; Other Information: DOI: 10.1063/1.1822921; (c) 2004 American Institute of Physics; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
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