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Dynamics of HeHHe(+) Rotational State Changes Induced by Collision with He: A Possible New Path in Early Universe Chemistry

[Image: see text] Ab initio calculations are employed to generate the rigid rotor (RR) potential energy surface (PES) describing the interaction of the linear molecular cation HeHHe(+), at its equilibrium geometry, with the neutral He atom. The resulting interaction is employed to investigate the ef...

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Autores principales: González-Sánchez, L., Yurtsever, E., Wester, R., Gianturco, F. A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8154607/
https://www.ncbi.nlm.nih.gov/pubmed/33899485
http://dx.doi.org/10.1021/acs.jpca.1c01820
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author González-Sánchez, L.
Yurtsever, E.
Wester, R.
Gianturco, F. A.
author_facet González-Sánchez, L.
Yurtsever, E.
Wester, R.
Gianturco, F. A.
author_sort González-Sánchez, L.
collection PubMed
description [Image: see text] Ab initio calculations are employed to generate the rigid rotor (RR) potential energy surface (PES) describing the interaction of the linear molecular cation HeHHe(+), at its equilibrium geometry, with the neutral He atom. The resulting interaction is employed to investigate the efficiency of rotational state-changing collisions at the temperatures relevant to the early universe conditions, where the latter molecule has been postulated to exist, albeit not yet observed. The inelastic rate coefficients are found to be fairly large and are compared with those found for another important cation just recently observed in the interstellar medium: the HeH(+) polar molecule. The possibility for this cation to provide new options to energy dissipation routes under early universe conditions after the recombination era is briefly discussed.
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spelling pubmed-81546072021-05-27 Dynamics of HeHHe(+) Rotational State Changes Induced by Collision with He: A Possible New Path in Early Universe Chemistry González-Sánchez, L. Yurtsever, E. Wester, R. Gianturco, F. A. J Phys Chem A [Image: see text] Ab initio calculations are employed to generate the rigid rotor (RR) potential energy surface (PES) describing the interaction of the linear molecular cation HeHHe(+), at its equilibrium geometry, with the neutral He atom. The resulting interaction is employed to investigate the efficiency of rotational state-changing collisions at the temperatures relevant to the early universe conditions, where the latter molecule has been postulated to exist, albeit not yet observed. The inelastic rate coefficients are found to be fairly large and are compared with those found for another important cation just recently observed in the interstellar medium: the HeH(+) polar molecule. The possibility for this cation to provide new options to energy dissipation routes under early universe conditions after the recombination era is briefly discussed. American Chemical Society 2021-04-26 2021-05-06 /pmc/articles/PMC8154607/ /pubmed/33899485 http://dx.doi.org/10.1021/acs.jpca.1c01820 Text en © 2021 The Authors. Published by American Chemical Society Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).
spellingShingle González-Sánchez, L.
Yurtsever, E.
Wester, R.
Gianturco, F. A.
Dynamics of HeHHe(+) Rotational State Changes Induced by Collision with He: A Possible New Path in Early Universe Chemistry
title Dynamics of HeHHe(+) Rotational State Changes Induced by Collision with He: A Possible New Path in Early Universe Chemistry
title_full Dynamics of HeHHe(+) Rotational State Changes Induced by Collision with He: A Possible New Path in Early Universe Chemistry
title_fullStr Dynamics of HeHHe(+) Rotational State Changes Induced by Collision with He: A Possible New Path in Early Universe Chemistry
title_full_unstemmed Dynamics of HeHHe(+) Rotational State Changes Induced by Collision with He: A Possible New Path in Early Universe Chemistry
title_short Dynamics of HeHHe(+) Rotational State Changes Induced by Collision with He: A Possible New Path in Early Universe Chemistry
title_sort dynamics of hehhe(+) rotational state changes induced by collision with he: a possible new path in early universe chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8154607/
https://www.ncbi.nlm.nih.gov/pubmed/33899485
http://dx.doi.org/10.1021/acs.jpca.1c01820
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