Reaction dynamics of OH{sup +}({sup 3}{sigma}{sup -})+C{sub 2}H{sub 2} studied with crossed beams and density functional theory calculations
Journal Article
·
· Journal of Chemical Physics
- Department of Chemistry, University of Rochester, Rochester, New York 14627 (United States)
The reactions between OH{sup +}({sup 3}{sigma}{sup -}) and C{sub 2}H{sub 2} have been studied using crossed ion and molecular beams and density functional theory calculations. Both charge transfer and proton transfer channels are observed. Products formed by carbon-carbon bond cleavage analogous to those formed in the isoelectronic O({sup 3}P)+C{sub 2}H{sub 2} reaction, e.g., {sup 3}CH{sub 2}+HCO{sup +}, are not observed. The center of mass flux distributions of both product ions at three different energies are highly asymmetric, with maxima close to the velocity and direction of the precursor acetylene beam, characteristic of direct reactions. The internal energy distributions of the charge transfer products are independent of collision energy and are peaked at the reaction exothermicity, inconsistent with either the existence of favorable Franck-Condon factors or energy resonance. In proton transfer, almost the entire reaction exothermicity is transformed into product internal excitation, consistent with mixed energy release in which the proton is transferred with both the breaking and forming bonds extended. Most of the incremental translational energy in the two higher-energy experiments appears in product translational energy, providing an example of induced repulsive energy release.
- OSTI ID:
- 20864297
- Journal Information:
- Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 13 Vol. 125; ISSN JCPSA6; ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
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