L. Bonnet et Jc. Rayez, A MODEL OF ROTATIONAL-TRANSLATIONAL ENERG Y-TRANSFER IN THE EXIT-CHANNEL OF A 3-ATOM UNIMOLECULAR REACTION, COMPTES RENDUS DE L ACADEMIE DES SCIENCES SERIE II FASCICULE C-CHIMIE, 1(2), 1998, pp. 101-108
For a three-atom unimolecular reaction of the type ABC --> AB + C perf
ormed in a supersonic molecular beam experiment, we propose an analyti
cal model to describe how the rotational angular momentum of AB varies
from the transition state onto the separated products. This model is
compared with quasiclassical trajectory calculations on a model potent
ial energy surface and the agreement found is very satisfying. Includi
ng this model in a statistical treatment could possibly extend its abi
lity to describe processes involving non-negligible exit-channel rotat
ional-translational energy transfers. (C) Academie des Sciences/Elsevi
er, Paris.