Dynamics of the F2 reaction with the simplest pi-bonding molecule.
The reaction of F(2)+C(2)H(4) has been investigated with crossed molecular beam experiments and high level ab initio calculations. For a wide range of collision energies up to 11 kcal/mol, only one reaction channel could be observed in the gas phase. The primary products of this channel were identified as F+CH(2)CH(2)F. The experimental reaction threshold of collision energy was determined to be 5.5+/-0.5 kcal/mol. The product angular distribution was found to be strongly backward, indicating that the reaction time scale is substantially shorter than rotation. The calculated transition state structure suggests an early barrier; such dynamics is consistent with the small product kinetic energy release measured in the experiment. All experimental results consistently support a rebound reaction mechanism, which is suggested by the calculation of the intrinsic reaction coordinate. This work provides a clear and unambiguous description of the reaction dynamics, which may help to answer the question why the same reaction produces totally different products in the condensed phase.
Lu
Yu-Ju
YJ
Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 10617, Taiwan.
Xie
Tingxian
T
Fang
Jing-Wen
JW
Shao
Hua-Chieh
HC
Lin
Jim J
JJ