COLLINEAR QUANTUM WAVE-PACKET STUDY OF EXOTHERMIC A- APPLICATION TO THE C+NO REACTION(BC REACTIONS INVOLVING AN INTERMEDIATE COMPLEX OF LINEAR GEOMETRY )

Using a quantum time-dependent wave packet approach, we have analysed the influence of the topology of the intermediate well on the collinea r dynamics of the exothermic process A + BC --> ABC --> AB + C in whic h the masses are respectively 12, 14 and 16 u (1 u almost-equal-to 1.6 6054 x 10(-27) kg). A large range of collisional energies has been inv estigated. Moreover, we have analysed the influence of the vibration o f the reagents on the dynamics. Comparison with classical trajectory c alculations has also been made. It results that an increase of the ani sotropy of the well, defined as the ratio of the curvatures at the bot tom of the well along AB and BC, favours the vibrational excitation of the newly formed bond AB. Since the reaction C + NO --> CNO --> CN O corresponds to a weakly anisotropic CNO well, we predict that an inv ersion of population between the vibrational levels v' = 0 and v' = 1 of CN is expected to occur as long as the collisional energy increases .