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  Relocking of intrinsic angular momenta in collisions of diatoms with ions: Capture of H2(j=0,1) by H2+

Dashevskaya, E. I., Litvin, I., Nikitin, E. E., & Troe, J. (2016). Relocking of intrinsic angular momenta in collisions of diatoms with ions: Capture of H2(j=0,1) by H2+. Journal of Chemical Physics, 145(24): 244315. doi:10.1063/1.4972129.

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Dashevskaya, E. I.1, Author           
Litvin, I.1, Author           
Nikitin, E. E.1, Author           
Troe, J.1, Author           
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1Emeritus Group of Spectroscopy and Photochemical Kinetics, MPI for Biophysical Chemistry, Max Planck Society, ou_578625              

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 Abstract: Rate coefficients for capture of H-2(j = 0,1) by H-2(+) are calculated in perturbed rotor approximation, i.e., at collision energies considerably lower than Bhc (where B denotes the rotational constant of H2). The results are compared with the results from an axially nonadiabatic channel (ANC) approach, the latter providing a very good approximation from the low-temperature Bethe-Wigner to the high temperature Langevin limit. The classical ANC approximation performs satisfactorily at temperatures above 0.1 K. At 0.1 K, the rate coefficient for j = 1 is about 25% higher than that for j = 0 while the latter is close to the Langevin rate coefficient. The Bethe-Wigner limit of the rate coefficient for j = 1 is about twice that for j = 0. The analysis of the relocking of the intrinsic angular momentum of H-2 during the course of the collision illustrates the significance of relocking in capture dynamics in general.

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Language(s): eng - English
 Dates: 2016-12-292016-12
 Publication Status: Issued
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 Rev. Type: Peer
 Identifiers: DOI: 10.1063/1.4972129
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Title: Journal of Chemical Physics
Source Genre: Journal
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Pages: 9 Volume / Issue: 145 (24) Sequence Number: 244315 Start / End Page: - Identifier: -