THE EFFECT OF ROTATIONAL-EXCITATION ON THE REACTION A(-)(G))-](OO)-O-18-O-16((3)SIGMA(-)(G))+O-16(P-3) - A COMPARISON OF QUASI-CLASSICAL AND HEMIQUANTAL HYPERSPHERICAL DYNAMICS((OO))
M. Chajia et M. Jacon, THE EFFECT OF ROTATIONAL-EXCITATION ON THE REACTION A(-)(G))-](OO)-O-18-O-16((3)SIGMA(-)(G))+O-16(P-3) - A COMPARISON OF QUASI-CLASSICAL AND HEMIQUANTAL HYPERSPHERICAL DYNAMICS((OO)), Chemical physics, 195(1-3), 1995, pp. 195-206
We present the results of quasiclassical trajectories (QCT) and hemiqu
antal hyperspherical (HQS) dynamics calculations for the exchange reac
tion O-18(P-3)+(OO)-O-16-O-16((3) Sigma(g)(-))-->(OO)-O-18-O-16((3) Si
gma(g)(-))+O-16(P-3) and its reverse. The effect of rotational excitat
ion on reactivity has been investigated by calculating reaction cross
sections for specific initial states for a collision energy in the ran
ge 0.01-0.45 eV. Detailed and thermal rate constants in the temperatur
e range 150-700 K are presented. The influence of rotational excitatio
n on reactivity is found to be similar by both QCT and HQS methods and
a possible explanation of the results is proposed. The numerical valu
es are compared with experimental ones and with those of other traject
ories calculations.