Wave packet study of the CD3I photodissociation dynamics in the A band

Abstract: Wave packet simulations of the CD3I photodissociation dynamics in the A band are reported, and the isotope effect in several time-dependent and asymptotic properties is analyzed for different dissociation channels. The reaction times are found to be only about 7–8fs longer than in the case of CH3I photodissociation. The isotope effect manifests itself strongly in a higher internal excitation of CD3 compared to CH3, which is exhibited in the vibrational, rotational, and translational energy distributions of the CD3 fragments, particularly in the CD3 +I(2P3/2) dissociation channel. [Copyright &y& Elsevier]