| Autor: |
Zhang, Shesheng, Medvedev, Dmitry M., Goldfield, Evelyn M., Gray, Stephen K. |
| Předmět: |
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| Zdroj: |
Journal of Chemical Physics; 10/28/2006, Vol. 125 Issue 16, p164312, 8p, 3 Charts, 7 Graphs |
| Abstrakt: |
Six-dimensional wave packet calculations are carried out to study the behavior of HOCO subsequent to the photodetachment of an electron from the negative anion, HOCO-. It is possible to form stable and/or long-lived HOCO complexes, as well as the dissociative products OH+CO and H+CO2. A variety of observables are determined: the electron kinetic energy (eKE) distributions associated with the OH+CO and H+CO2 channels, the correlated eKE and product translational energy distribution for the OH+CO channel, and product branching ratios. Most of our results are in good accord with the experimental results of Clements, Continetti, and Francisco [J. Chem. Phys. 117, 6478 (2002)], except that the calculated eKE distribution for the H+CO2 channel is noticeably colder than experiment. Reasons for this discrepancy are suggested. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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