Issue 23, 2014

The H + HeH+ → He + H2+ reaction from the ultra-cold regime to the three-body breakup: exact quantum mechanical integral cross sections and rate constants

Abstract

In this work, we present a quantum mechanical scattering study of the title reaction from 1 mK to 2000 K. Total integral cross sections and thermal rate constants are compared with previous theoretical and experimental data and with simpler theoretical models to understand the range of validity of the approximations used in the previous studies. The obtained quantum reactive observables have been found to be nearly insensitive to the roto-vibrational energy of the reactants at high temperatures. More sensitive to the reactant's roto-vibrational energy are the data in the cold and ultra-cold regimes. The implications of the new data presented here in the early universe scenario are also discussed and analyzed.

Graphical abstract: The H + HeH+ → He + H2+ reaction from the ultra-cold regime to the three-body breakup: exact quantum mechanical integral cross sections and rate constants

Supplementary files

Article information

Article type
Paper
Submitted
03 Feb 2014
Accepted
18 Mar 2014
First published
18 Mar 2014

Phys. Chem. Chem. Phys., 2014,16, 11662-11672

Author version available

The H + HeH+ → He + H2+ reaction from the ultra-cold regime to the three-body breakup: exact quantum mechanical integral cross sections and rate constants

D. De Fazio, Phys. Chem. Chem. Phys., 2014, 16, 11662 DOI: 10.1039/C4CP00502C

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