Abstract
Reactions of vibrationally excited ND (a1Δ, j0 = 2, v0 = 0,1,2) molecule with H atom have been carried out on the modified NH2 potential energy surface (PES) for the 2A′ excited state using Centrifugal Sudden approximation. The chemical reaction of ND (a1Δ) with H can proceed via the depletion ND + H → N + HD and the exchange pathways ND + H → NH + D. So, we present the time-dependent wave packet quantum scattering calculations of initial-state-resolved reaction probabilities, integral cross sections and initial state-selected reaction rate constants for exchange and depletion channels of the title reaction. For exchange reaction, it was found that vibrational excitation plays a very important role in the integral cross sections and rate constants.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
