Dynamics of the C(1D)+D2 reaction: a comparison of crossed molecular-beam experiments with quasiclassical trajectory and accurate statistical calculations.
In this paper we report a combined experimental and theoretical study on the dynamics of the insertion reaction C((1)D)+D(2) at 15.5 kJ mol(-1) collision energy. Product angular and velocity distributions have been obtained in crossed beam experiments and quasiclassical trajectory (QCT) and rigorous statistical calculations have been performed on the recent and accurate ab initio potential energy surface of Bussery-Honvault, Honvault, and Launay at the energy of the experiment. The molecular-beam results have been simulated using the theoretical calculations. Good agreement between experiment and both QCT and statistical predictions is found.
Balucani
Nadia
N
Dipartimento di Chimica, Università di Perugia, 06123 Perugia, Italy. nadia@dyn.unipg.it
Capozza
Giovanni
G
Segoloni
Enrico
E
Russo
Andrea
A
Bobbenkamp
Rolf
R
Casavecchia
Piergiorgio
P
Gonzalez-Lezana
Tomas
T
Rackham
Edward J
EJ
Bañares
Luis
L
Aoiz
F Javier
FJ