Regular Article

The effects of the vibrational excitation on H + ND(a¹Δ, j₀ = 2, v₀ = 0,1,2) reaction

Department of Physics, Faculty of Science, Firat University, 23169 Elazig, Turkey

^a e-mail: ssurucu@firat.edu.tr

Received: 10 May 2019
Received in final form: 1 October 2019
Published online: 10 December 2019

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.