Photodissociation dynamics of the 2-propyl radical, C{sub 3}H{sub 7}
- Institute of Physical Chemistry, University of Wuerzburg, Am Hubland D-97074 Wuerzburg (Germany)
The photodissociation of 2-propyl leading to propene+H was investigated with nanosecond time resolution. A supersonic beam of isolated 2-propyl radicals was produced by pyrolysis of 2-bromopopane. The kinetic energy release of the H-atom photofragment was monitored as a function of excitation wavelength by photofragment Doppler spectroscopy via the Lyman-{alpha} transition. The loss of hydrogen atoms after excitation proceeds in {alpha} position to the radical center with a rate constant of 5.8x10{sup 7} s{sup -1} at 254 nm. Approximately 20% of the excess energy is deposited as translation in the H-atom photofragment. In contrast 1-propyl does not lose H atoms to a significant extent. The experimental results are compared to simple Rice-Ramsperger-Kassel-Marcus calculations. The possible reaction pathways are examined in hybrid density functional theory calculations.
- OSTI ID:
- 20991258
- Journal Information:
- Journal of Chemical Physics, Vol. 126, Issue 14; Other Information: DOI: 10.1063/1.2715917; (c) 2007 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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