Impulsive alignment of 4He-CH3I: a theoretical study

We simulate the non-adiabatic laser alignment of the weakly bound 4He-CH3I complex based on a quantum mechanical wave packet calculation for a model He-CH3I interaction potential. Two different regimes are found depending on the laser intensity. At intensities typical of non-adiabatic alignment expe...

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Detalhes bibliográficos
Autores: Vindel-Zandbergen, Patricia, Jiang, Ji, Lewerenz, Marius, Meier, Christoph, Barranco Gómez, Manuel, Pi Pericay, Martí, Halberstadt, Nadine
Formato: artículo
Estado:Versión publicada
Fecha de publicación:2018
País:España
Recursos:Universidad de Barcelona
Repositorio:Dipòsit Digital de la UB
OAI Identifier:oai:diposit.ub.edu:2445/130116
Acesso em linha:https://hdl.handle.net/2445/130116
Access Level:acceso abierto
Palavra-chave:Àtoms
Heli
Teoria quàntica
Atoms
Helium
Quantum theory
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spelling Impulsive alignment of 4He-CH3I: a theoretical studyVindel-Zandbergen, PatriciaJiang, JiLewerenz, MariusMeier, ChristophBarranco Gómez, ManuelPi Pericay, MartíHalberstadt, NadineÀtomsHeliTeoria quànticaAtomsHeliumQuantum theoryWe simulate the non-adiabatic laser alignment of the weakly bound 4He-CH3I complex based on a quantum mechanical wave packet calculation for a model He-CH3I interaction potential. Two different regimes are found depending on the laser intensity. At intensities typical of non-adiabatic alignment experiments, the rotational dynamics resembles that of the isolated molecule. This is attributed to the fact that after the initial prompt alignment peak the complex rapidly dissociates. The subsequent revival pattern is due to the free rotation of the molecule detached from the helium atom. It is superimposed to a flat background corresponding to ∼20% of the wave packet which remains bound, containing lower rotational excitation. At lower intensities, dissociation is avoided but the rotational excitation is not high enough to provide an efficient alignment and a broad non-regular structure is observed. Besides, the interaction of the He atom with the molecule quenches any possible alignment. These interpretations are based on the calculation of different observables related to the rotational motion. We compare our findings with recent experimental and theoretical results of non-adiabatic alignment of linear molecules solvated in helium nanodroplets or weakly interacting with one helium atom.American Institute of Physics2018info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionapplication/pdfhttps://hdl.handle.net/2445/130116Articles publicats en revistes (Física Quàntica i Astrofísica)reponame:Dipòsit Digital de la UBinstname:Universidad de BarcelonaInglésReproducció del document publicat a: https://doi.org/10.1063/1.5048338Journal of Chemical Physics, 2018, vol. 149, num. 12, p. 124301-1-124301-12https://doi.org/10.1063/1.5048338(c) American Institute of Physics , 2018info:eu-repo/semantics/openAccessoai:diposit.ub.edu:2445/1301162026-05-27T06:46:51Z
dc.title.none.fl_str_mv Impulsive alignment of 4He-CH3I: a theoretical study
title Impulsive alignment of 4He-CH3I: a theoretical study
spellingShingle Impulsive alignment of 4He-CH3I: a theoretical study
Vindel-Zandbergen, Patricia
Àtoms
Heli
Teoria quàntica
Atoms
Helium
Quantum theory
title_short Impulsive alignment of 4He-CH3I: a theoretical study
title_full Impulsive alignment of 4He-CH3I: a theoretical study
title_fullStr Impulsive alignment of 4He-CH3I: a theoretical study
title_full_unstemmed Impulsive alignment of 4He-CH3I: a theoretical study
title_sort Impulsive alignment of 4He-CH3I: a theoretical study
dc.creator.none.fl_str_mv Vindel-Zandbergen, Patricia
Jiang, Ji
Lewerenz, Marius
Meier, Christoph
Barranco Gómez, Manuel
Pi Pericay, Martí
Halberstadt, Nadine
author Vindel-Zandbergen, Patricia
author_facet Vindel-Zandbergen, Patricia
Jiang, Ji
Lewerenz, Marius
Meier, Christoph
Barranco Gómez, Manuel
Pi Pericay, Martí
Halberstadt, Nadine
author_role author
author2 Jiang, Ji
Lewerenz, Marius
Meier, Christoph
Barranco Gómez, Manuel
Pi Pericay, Martí
Halberstadt, Nadine
author2_role author
author
author
author
author
author
dc.subject.none.fl_str_mv Àtoms
Heli
Teoria quàntica
Atoms
Helium
Quantum theory
topic Àtoms
Heli
Teoria quàntica
Atoms
Helium
Quantum theory
description We simulate the non-adiabatic laser alignment of the weakly bound 4He-CH3I complex based on a quantum mechanical wave packet calculation for a model He-CH3I interaction potential. Two different regimes are found depending on the laser intensity. At intensities typical of non-adiabatic alignment experiments, the rotational dynamics resembles that of the isolated molecule. This is attributed to the fact that after the initial prompt alignment peak the complex rapidly dissociates. The subsequent revival pattern is due to the free rotation of the molecule detached from the helium atom. It is superimposed to a flat background corresponding to ∼20% of the wave packet which remains bound, containing lower rotational excitation. At lower intensities, dissociation is avoided but the rotational excitation is not high enough to provide an efficient alignment and a broad non-regular structure is observed. Besides, the interaction of the He atom with the molecule quenches any possible alignment. These interpretations are based on the calculation of different observables related to the rotational motion. We compare our findings with recent experimental and theoretical results of non-adiabatic alignment of linear molecules solvated in helium nanodroplets or weakly interacting with one helium atom.
publishDate 2018
dc.date.none.fl_str_mv 2018
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv https://hdl.handle.net/2445/130116
url https://hdl.handle.net/2445/130116
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv Reproducció del document publicat a: https://doi.org/10.1063/1.5048338
Journal of Chemical Physics, 2018, vol. 149, num. 12, p. 124301-1-124301-12
https://doi.org/10.1063/1.5048338
dc.rights.none.fl_str_mv (c) American Institute of Physics , 2018
info:eu-repo/semantics/openAccess
rights_invalid_str_mv (c) American Institute of Physics , 2018
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv American Institute of Physics
publisher.none.fl_str_mv American Institute of Physics
dc.source.none.fl_str_mv Articles publicats en revistes (Física Quàntica i Astrofísica)
reponame:Dipòsit Digital de la UB
instname:Universidad de Barcelona
instname_str Universidad de Barcelona
reponame_str Dipòsit Digital de la UB
collection Dipòsit Digital de la UB
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15,300724

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