화학공학소재연구정보센터
Chemical Physics Letters, Vol.477, No.4-6, 271-275, 2009
Wave packet study of the CD3I photodissociation dynamics in the A band
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 7-8 fs 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(P-2(3/2)) dissociation channel. (C) 2009 Elsevier B. V. All rights reserved.