M. Alagia et al., Exploring the reaction dynamics of nitrogen atoms: A combined crossed beamand theoretical study of N(D-2)+D-2 -> ND+D, J CHEM PHYS, 110(18), 1999, pp. 8857-8860
In the first successful reactive scattering study of nitrogen atoms, the an
gular and velocity distribution of the ND product from the reaction N(D-2)
+ D-2 at 5.1 and 3.8 kcal/mol collision energies has been obtained in a cro
ssed molecular beam study with mass spectrometric detection. The center-of-
mass product angular distribution is found to be nearly backward-forward sy
mmetric, reflecting an insertion dynamics. About 30% of the total available
energy goes into product translation. The experimental results were compar
ed with those of quasiclassical trajectory calculations on an accurate pote
ntial energy surface obtained from large scale ab initio electronic structu
re computations. Good agreement was found between the experimental results
and the theoretical predictions. (C) 1999 American Institute of Physics. [S
0021-9606(99)02118-2].