Quantum effects in the differential cross Ssctions for the insertion reaction N(2D) + H2.
The quantum (QM) scattering theory has been difficult to apply to the family of insertion reactions and the approximate quasiclassical trajectory (QCT) method or statistical calculations were mostly applied. In this Letter, we compare the experimental differential cross sections for the title insertion reaction with the results of QM and QCT calculations on an ab initio potential energy surface. The QM results reproduce well the crossed beam experiment, while a small, but significant, difference in the QCT ones points to quantum effects, possibly the occurrence of tunneling through the combined potential and centrifugal barrier.
Balucani
Nadia
N
Dipartimento di Chimica, Università di Perugia, 06123 Perugia, Italy.
Cartechini
Laura
L
Capozza
Giovanni
G
Segoloni
Enrico
E
Casavecchia
Piergiorgio
P
Volpi
Gian Gualberto
GG
Javier Aoiz
F
F
Bañares
Luis
L
Honvault
Pascal
P
Launay
Jean-Michel
JM