Feshbach resonances in the H2(v=1)+OD→H+HOD reaction

18 March 2025, Version 1
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

Using the MRPD based time-dependent wave packet approach, we calculate the first fully converged state-to-state differential cross sections for the H2(v=1)+OD→H+HOD reaction on a highly accurate neural network PES. Two distinctive peaks are found in the J=0 reaction probabilities and the backward scattering differential cross sections. Detailed analysis reveals that these peaks originate from the Feshbach resonance states trapped in the peculiar well on the HOD(vOH=3) vibrationally adiabatic potential caused by chemical bond softening, and produces mainly HOD(vOH=2) product.

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