Translational and Vibrational Energy Dependence of the Cross Section for
H + C2H4--> C2H5*
Classical trajectories are used to calculate reactive cross sections vs.
translational and vibrational energy for hydrogen atom addition to ethylene
to form the vibrationally excited ethyl radical. Exciting the C==C stretch
and CH2 wagging motions of ethylene has only a minor
effect on the reactive cross section. Variations in the potential energy
surface were investigated. Narrowing the angular width of the H + C2H4
-->
C2H5* entrance channel decreases the reactive cross
section at low translational energies, but increases it at high translational
energies. The classical trajectory threshold for C2H5*
formation is found to be similar to the zero point vibrationally adiabatic
barrier. Neither removing zero point energy from ethylene nor replacing
the attacking atom with deuterium causes major changes in the reactive
cross section. The reactive cross sections vs. translational energy for
hydrogen atom addition to ethylene are compared with those for the model
reaction H+ C==C --> HCC*
Click to go back to the publication list
Webpage design by Igor Zilberman