Title: Dynamics of the F(2) Reaction with Propene: The Effect of Methyl Substitution
Authors: Fang, Jing-Wen
Xie, Tingxian
Chen, Hsueh-Ying
Lu, Yu-Ju
Lee, Yuan T.
Lin, Jim J.
Department of Applied Chemistry
Issue Date: 23-Apr-2009
Abstract: The reaction of F(2) + C(3)H(6) has been investigated with the crossed molecular beam technique. The only observed primary product channel is F + C(3)H(6)F while the HF + C(3)H(5)F channel cannot be found. The reaction cross section was measured as a function of collision energy and the reaction threshold was determined to be 2.4 +/- 0.3 kcal/mol. Compared to the reaction threshold of the F(2) + C(2)H(4) reaction, the methyl substitution effectively reduces the reaction threshold by about 3 kcal/mol. The product time-of-flight spectra and angular distributions were measured and analyzed. The angular distribution displays strongly backward, indicating that the reaction is much faster than rotation. All experimental results support a rebound reaction mechanism, which agrees with the structure of the calculated transition state. The transition state geometry also suggests an early barrier; such dynamics is consistent with the observed small kinetic energy release of the products. Except for the different values of the reaction thresholds, the dynamics of the F(2) + C(2)H(4) and F(2) + C(3)H(6) reactions are remarkably similar.
URI: http://dx.doi.org/10.1021/jp811053d
ISSN: 1089-5639
DOI: 10.1021/jp811053d
Volume: 113
Issue: 16
Begin Page: 4381
End Page: 4386
Appears in Collections:Articles