Low temperature dynamics of H + HeH+→ H2+ + He reaction: On the importance of long-range interaction.

J Chem Phys

Laboratoire Univers et Particules de Montpellier, Université de Montpellier, UMR-CNRS 5299, 34095 Montpellier Cedex, France.

Published: October 2024

While the growing realization of the importance of long-range interactions is being demonstrated in cold and ultracold bimolecular collision experiments, their influence on one of the most critical ion-neutral reactions has been overlooked. Here, we address the non-Langevin abrupt decrease observed earlier in the low-energy integral cross-sections and rate coefficients of the astrochemically important H + HeH+→ H2+ + He reaction. We attribute this to the presence of artificial barriers on existing potential energy surfaces (PESs). By incorporating precise long-range interaction terms, we introduce a new refined barrierless PES for the electronic ground state of HeH2+ reactive system, aligning closely with high-level ab initio electronic energies. Our findings, supported by various classical, quantum, and statistical methods, underscore the significance of long-range terms in accurately modeling reactive PESs. The low-temperature rate coefficient on this new PES shows a substantial enhancement as compared to the previous results and aligns with the Langevin behavior. This enhancement could noticeably affect the prediction of HeH+ abundance in early Universe condition.

Download full-text PDF

Source
http://dx.doi.org/10.1063/5.0233558DOI Listing

Publication Analysis

Top Keywords

heh+→ h2+ reaction
8
long-range interaction
8
low temperature
4
temperature dynamics
4
dynamics heh+→ h2+
4
long-range
4
reaction long-range
4
interaction growing
4
growing realization
4
realization long-range
4

Similar Publications

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!