Prediction of a Feshbach Resonance in the Below-the-Barrier Reactive Scattering of Vibrationally Excited HD with H

Authors

Boyi Zhou, University of Georgia
Benhui Yang, University of Georgia
Naduvalath Balakrishnan, University of Nevada, Las VegasFollow
B. K. Kendrick, Alamos National Laboratory
P. C. Stancil, University of Georgia

Document Type

Article

Publication Date

6-8-2020

Publication Title

Journal of Physical Chemistry Letters

Volume

11

Issue

13

First page number:

1

Last page number:

6

Abstract

Quantum reactive scattering calculations on the vibrational quenching of HD due to collisions with H were carried out employing an accurate potential energy surface. The state-to-state cross sections for the chemical reaction HD(v = 1, j = 0) + H → D + H2(v′ = 0, j′) at collision energies between 1 and 10 000 cm–1 are presented, and a Feshbach resonance in the low-energy regime, below the reaction barrier, is observed for the first time. The resonance is attributed to coupling with the vibrationally adiabatic potential correlating to the v = 1, j = 1 level of the HD molecule, and it is dominated by the contribution from a single partial wave. The properties of the resonance, such as its dynamic behavior, phase behavior, and lifetime, are discussed.

Disciplines

Chemistry | Physical Sciences and Mathematics

Language

English

Repository Citation

Zhou, B., Yang, B., Balakrishnan, N., Kendrick, B. K., Stancil, P. C. (2020). Prediction of a Feshbach Resonance in the Below-the-Barrier Reactive Scattering of Vibrationally Excited HD with H. Journal of Physical Chemistry Letters, 11(13), 1-6.
http://dx.doi.org/10.1021/acs.jpclett.0c01294