Modeling Quantum Kinetics in Ion Traps: State‐changing Collisions for OH(+)([Formula: see text] ) Ions with He as a Buffer Gas

We present quantum scattering calculations for rotational state‐changing cross sections and rates, up to about 50 K of ion translational temperatures, for the OH(+) molecular ion in collision with He atoms as the buffer gas in the trap. The results are obtained both by using the correct spin‐rotatio...

Descripción completa

Detalles Bibliográficos
Autores principales: González‐Sánchez, L., Wester, R., Gianturco, F.A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6099509/
https://www.ncbi.nlm.nih.gov/pubmed/29689629
http://dx.doi.org/10.1002/cphc.201800119
_version_ 1783348681919954944
author González‐Sánchez, L.
Wester, R.
Gianturco, F.A.
author_facet González‐Sánchez, L.
Wester, R.
Gianturco, F.A.
author_sort González‐Sánchez, L.
collection PubMed
description We present quantum scattering calculations for rotational state‐changing cross sections and rates, up to about 50 K of ion translational temperatures, for the OH(+) molecular ion in collision with He atoms as the buffer gas in the trap. The results are obtained both by using the correct spin‐rotation coupling of angular momenta and also within a recoupling scheme that treats the molecular target as a pseudo‐([Formula: see text] ) state, and then compares our findings with similar data for the OH(−)([Formula: see text] ) molecular partner under the same conditions. This comparison intends to link the cation behaviour to the one found earlier for the molecular anion. The full calculations including the spin‐rotation angular momenta coupling effects have been recently reported (L. González‐Sánchez and R. Wester and F.A. Gianturco, Mol.Phys.2018, DOI 10.1080/00268976.2018.14425971) with the aim of extracting specific propensity rules controlling the size of the cross sections. The present study is instead directed to modelling trap cooling dynamics by further obtaining the solutions of the corresponding kinetics equations under different trap schemes so that, using the presently computed rates can allow us to indicate specific optimal conditions for the experimental setup of the collisional rotational cooling in an ion trap for the system under study.
format Online
Article
Text
id pubmed-6099509
institution National Center for Biotechnology Information
language English
publishDate 2018
publisher John Wiley and Sons Inc.
record_format MEDLINE/PubMed
spelling pubmed-60995092018-08-24 Modeling Quantum Kinetics in Ion Traps: State‐changing Collisions for OH(+)([Formula: see text] ) Ions with He as a Buffer Gas González‐Sánchez, L. Wester, R. Gianturco, F.A. Chemphyschem Articles We present quantum scattering calculations for rotational state‐changing cross sections and rates, up to about 50 K of ion translational temperatures, for the OH(+) molecular ion in collision with He atoms as the buffer gas in the trap. The results are obtained both by using the correct spin‐rotation coupling of angular momenta and also within a recoupling scheme that treats the molecular target as a pseudo‐([Formula: see text] ) state, and then compares our findings with similar data for the OH(−)([Formula: see text] ) molecular partner under the same conditions. This comparison intends to link the cation behaviour to the one found earlier for the molecular anion. The full calculations including the spin‐rotation angular momenta coupling effects have been recently reported (L. González‐Sánchez and R. Wester and F.A. Gianturco, Mol.Phys.2018, DOI 10.1080/00268976.2018.14425971) with the aim of extracting specific propensity rules controlling the size of the cross sections. The present study is instead directed to modelling trap cooling dynamics by further obtaining the solutions of the corresponding kinetics equations under different trap schemes so that, using the presently computed rates can allow us to indicate specific optimal conditions for the experimental setup of the collisional rotational cooling in an ion trap for the system under study. John Wiley and Sons Inc. 2018-06-21 2018-08-07 /pmc/articles/PMC6099509/ /pubmed/29689629 http://dx.doi.org/10.1002/cphc.201800119 Text en © 2018 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA. This is an open access article under the terms of the http://creativecommons.org/licenses/by/4.0/ License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.
spellingShingle Articles
González‐Sánchez, L.
Wester, R.
Gianturco, F.A.
Modeling Quantum Kinetics in Ion Traps: State‐changing Collisions for OH(+)([Formula: see text] ) Ions with He as a Buffer Gas
title Modeling Quantum Kinetics in Ion Traps: State‐changing Collisions for OH(+)([Formula: see text] ) Ions with He as a Buffer Gas
title_full Modeling Quantum Kinetics in Ion Traps: State‐changing Collisions for OH(+)([Formula: see text] ) Ions with He as a Buffer Gas
title_fullStr Modeling Quantum Kinetics in Ion Traps: State‐changing Collisions for OH(+)([Formula: see text] ) Ions with He as a Buffer Gas
title_full_unstemmed Modeling Quantum Kinetics in Ion Traps: State‐changing Collisions for OH(+)([Formula: see text] ) Ions with He as a Buffer Gas
title_short Modeling Quantum Kinetics in Ion Traps: State‐changing Collisions for OH(+)([Formula: see text] ) Ions with He as a Buffer Gas
title_sort modeling quantum kinetics in ion traps: state‐changing collisions for oh(+)([formula: see text] ) ions with he as a buffer gas
topic Articles
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6099509/
https://www.ncbi.nlm.nih.gov/pubmed/29689629
http://dx.doi.org/10.1002/cphc.201800119
work_keys_str_mv AT gonzalezsanchezl modelingquantumkineticsiniontrapsstatechangingcollisionsforohformulaseetextionswithheasabuffergas
AT westerr modelingquantumkineticsiniontrapsstatechangingcollisionsforohformulaseetextionswithheasabuffergas
AT gianturcofa modelingquantumkineticsiniontrapsstatechangingcollisionsforohformulaseetextionswithheasabuffergas