A comparison of the stereodynamics between the reactions H + HH(D, T) and the reactions H− + HH(D, T)

The vector correlation in the H− + HH reaction and its isotopic variants at a collision energy of 35.7 kcal/mol has been studied by using the quasi-classical trajectories on the potential energy surface (PES) constructed by Panda and Sathyamurthy. Though H3- system is very similar to H3 in many ways, for instance, the mass factor, the characteristics of saddle point on the PES for collinear H3- and H3, etc., the remarkable differences are found when compared the rotational polarization of the product HH from the reactions H− + HH(D, T) with that of the product HH from the reactions H + HH(D, T) published by Chen et al. The calculated results also show that the long range interaction may play an important role in dynamical stereochemistry.