화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.108, No.41, 8935-8940, 2004
Application of the END theory to the H+D-2 -> HD+D reaction
We investigate time-delay effects in the formation of HD products when H projectiles collide with D-2 targets with a collision energy of 1.64 eV in the center-of-mass frame using the electron-nuclear dynamics (END) approach. Trajectories having target orientations within a 60degrees cone measured about the D-D bond are those that lead to the production of HD. In the impact-parameter regions that correspond to the formation of HD, we note a large change in the scattering angle of the HD product within a localized narrow region as a function of impact parameter. Calculated classical and semiclassical differential reaction cross sections are presented and compared to available experimental data. Finally, a coherent-state study of the vibrational modes for the product HD is presented.