Effects of conical intersections on hyperfine quenching of hydroxyl OH in collision with an ultracold Sr atom

Abstract The effect of conical intersections (CIs) on electronic relaxation, transitions from excited states to ground states, is well studied, but their influence on hyperfine quenching in a reactant molecule is not known. Here, we report on ultracold collision dynamics of the hydroxyl free-radical...

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Autores principales:	Ming Li, Jacek Kłos, Alexander Petrov, Hui Li, Svetlana Kotochigova
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2020
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/407548c5b5c940598b6e65ecf7bc6e4e
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spelling	oai:doaj.org-article:407548c5b5c940598b6e65ecf7bc6e4e2021-12-02T19:02:37ZEffects of conical intersections on hyperfine quenching of hydroxyl OH in collision with an ultracold Sr atom10.1038/s41598-020-71068-w2045-2322https://doaj.org/article/407548c5b5c940598b6e65ecf7bc6e4e2020-08-01T00:00:00Zhttps://doi.org/10.1038/s41598-020-71068-whttps://doaj.org/toc/2045-2322Abstract The effect of conical intersections (CIs) on electronic relaxation, transitions from excited states to ground states, is well studied, but their influence on hyperfine quenching in a reactant molecule is not known. Here, we report on ultracold collision dynamics of the hydroxyl free-radical OH with Sr atoms leading to quenching of OH hyperfine states. Our quantum-mechanical calculations of this process reveal that quenching is efficient due to anomalous molecular dynamics in the vicinity of the conical intersection at collinear geometry. We observe wide scattering resonance features in both elastic and inelastic rate coefficients at collision energies below $$k_{\text {B}}\times 10 \, \hbox {mK}$$ k B × 10 mK . They are identified as either p- or d-wave shape resonances. We also describe the electronic potentials relevant for these non-reactive collisions, their diabatization procedure, as well as the non-adiabatic coupling between the diabatic potentials near the CIs.Ming LiJacek KłosAlexander PetrovHui LiSvetlana KotochigovaNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 10, Iss 1, Pp 1-11 (2020)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Ming Li Jacek Kłos Alexander Petrov Hui Li Svetlana Kotochigova Effects of conical intersections on hyperfine quenching of hydroxyl OH in collision with an ultracold Sr atom
description	Abstract The effect of conical intersections (CIs) on electronic relaxation, transitions from excited states to ground states, is well studied, but their influence on hyperfine quenching in a reactant molecule is not known. Here, we report on ultracold collision dynamics of the hydroxyl free-radical OH with Sr atoms leading to quenching of OH hyperfine states. Our quantum-mechanical calculations of this process reveal that quenching is efficient due to anomalous molecular dynamics in the vicinity of the conical intersection at collinear geometry. We observe wide scattering resonance features in both elastic and inelastic rate coefficients at collision energies below $$k_{\text {B}}\times 10 \, \hbox {mK}$$ k B × 10 mK . They are identified as either p- or d-wave shape resonances. We also describe the electronic potentials relevant for these non-reactive collisions, their diabatization procedure, as well as the non-adiabatic coupling between the diabatic potentials near the CIs.
format	article
author	Ming Li Jacek Kłos Alexander Petrov Hui Li Svetlana Kotochigova
author_facet	Ming Li Jacek Kłos Alexander Petrov Hui Li Svetlana Kotochigova
author_sort	Ming Li
title	Effects of conical intersections on hyperfine quenching of hydroxyl OH in collision with an ultracold Sr atom
title_short	Effects of conical intersections on hyperfine quenching of hydroxyl OH in collision with an ultracold Sr atom
title_full	Effects of conical intersections on hyperfine quenching of hydroxyl OH in collision with an ultracold Sr atom
title_fullStr	Effects of conical intersections on hyperfine quenching of hydroxyl OH in collision with an ultracold Sr atom
title_full_unstemmed	Effects of conical intersections on hyperfine quenching of hydroxyl OH in collision with an ultracold Sr atom
title_sort	effects of conical intersections on hyperfine quenching of hydroxyl oh in collision with an ultracold sr atom
publisher	Nature Portfolio
publishDate	2020
url	https://doaj.org/article/407548c5b5c940598b6e65ecf7bc6e4e
work_keys_str_mv	AT mingli effectsofconicalintersectionsonhyperfinequenchingofhydroxylohincollisionwithanultracoldsratom AT jacekkłos effectsofconicalintersectionsonhyperfinequenchingofhydroxylohincollisionwithanultracoldsratom AT alexanderpetrov effectsofconicalintersectionsonhyperfinequenchingofhydroxylohincollisionwithanultracoldsratom AT huili effectsofconicalintersectionsonhyperfinequenchingofhydroxylohincollisionwithanultracoldsratom AT svetlanakotochigova effectsofconicalintersectionsonhyperfinequenchingofhydroxylohincollisionwithanultracoldsratom
_version_	1718377204607352832

Effects of conical intersections on hyperfine quenching of hydroxyl OH in collision with an ultracold Sr atom

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