Product rotational polarization in the photoinitiated bimolecular reaction A+BC→AB+C on attractive, mixed and repulsive surfaces

The product rotational polarization is reported using the quasiclassical trajectory method for the photoinitiated bimolecular reaction A+BC-->AB+C. The model takes the form of a 3D quasiclassical trajectory study of a hypothetical exothermic reaction employing combinations of (a): three different potential energy surfaces (attractive, mixed and repulsive), (b): three markedly different reagent mass combinations (H+HL, H+LL and H+HH, where L=1 amu and H=80 amu). Four PDDCSs (2 pi/sigma)(d sigma(00)/d omega(t)), (2 pi/sigma)(d sigma(20)/d omega(t)), (2 pi/sigma)(d sigma(22+)/d omega(t)), and (2 pi/sigma) (d sigma(21-)/d omega(t)) which are usually sensitive to many photoinitiated bimolecular reaction experiments are presented. Furthermore, the distribution of dihedral angle P(phi(r)) and the distribution of angle between K and J' P(theta(r)) are discussed. Moreover, the angular distribution of product rotational vectors in the form of polar plots in theta(r) and phi(r) is calculated. (C) 1998 Americana Institute of Physics. [S0021-9606(98)00237-2].