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

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Dashevskaya,  E. I.
Emeritus Group of Spectroscopy and Photochemical Kinetics, MPI for Biophysical Chemistry, Max Planck Society;

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Litvin,  I.
Emeritus Group of Spectroscopy and Photochemical Kinetics, MPI for Biophysical Chemistry, Max Planck Society;

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Nikitin,  E. E.
Emeritus Group of Spectroscopy and Photochemical Kinetics, MPI for Biophysical Chemistry, Max Planck Society;

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Troe,  J.
Emeritus Group of Spectroscopy and Photochemical Kinetics, MPI for Biophysical Chemistry, Max Planck Society;

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Citation

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.


Cite as: https://hdl.handle.net/11858/00-001M-0000-002C-6802-D
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.