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Structure determination of the tetracene dimer in helium nanodroplets using femtosecond strong-field ionization

Dimers of tetracene molecules are formed inside helium nanodroplets and identified through covariance analysis of the emission directions of kinetic tetracene cations stemming from femtosecond laser-induced Coulomb explosion. Next, the dimers are aligned in either one or three dimensions under field...

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Detalles Bibliográficos
Autores principales: Schouder, Constant, Chatterley, Adam S., Calvo, Florent, Christiansen, Lars, Stapelfeldt, Henrik
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Crystallographic Association 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6711753/
https://www.ncbi.nlm.nih.gov/pubmed/31463336
http://dx.doi.org/10.1063/1.5118005
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author Schouder, Constant
Chatterley, Adam S.
Calvo, Florent
Christiansen, Lars
Stapelfeldt, Henrik
author_facet Schouder, Constant
Chatterley, Adam S.
Calvo, Florent
Christiansen, Lars
Stapelfeldt, Henrik
author_sort Schouder, Constant
collection PubMed
description Dimers of tetracene molecules are formed inside helium nanodroplets and identified through covariance analysis of the emission directions of kinetic tetracene cations stemming from femtosecond laser-induced Coulomb explosion. Next, the dimers are aligned in either one or three dimensions under field-free conditions by a nonresonant, moderately intense laser pulse. The experimental angular covariance maps of the tetracene ions are compared to calculated covariance maps for seven different dimer conformations and found to be consistent with four of these. Additional measurements of the alignment-dependent strong-field ionization yield of the dimer narrow the possible conformations down to either a slipped-parallel or parallel-slightly rotated structure. According to our quantum chemistry calculations, these are the two most stable gas-phase conformations of the dimer and one of them is favorable for singlet fission.
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spelling pubmed-67117532019-08-28 Structure determination of the tetracene dimer in helium nanodroplets using femtosecond strong-field ionization Schouder, Constant Chatterley, Adam S. Calvo, Florent Christiansen, Lars Stapelfeldt, Henrik Struct Dyn ARTICLES Dimers of tetracene molecules are formed inside helium nanodroplets and identified through covariance analysis of the emission directions of kinetic tetracene cations stemming from femtosecond laser-induced Coulomb explosion. Next, the dimers are aligned in either one or three dimensions under field-free conditions by a nonresonant, moderately intense laser pulse. The experimental angular covariance maps of the tetracene ions are compared to calculated covariance maps for seven different dimer conformations and found to be consistent with four of these. Additional measurements of the alignment-dependent strong-field ionization yield of the dimer narrow the possible conformations down to either a slipped-parallel or parallel-slightly rotated structure. According to our quantum chemistry calculations, these are the two most stable gas-phase conformations of the dimer and one of them is favorable for singlet fission. American Crystallographic Association 2019-08-27 /pmc/articles/PMC6711753/ /pubmed/31463336 http://dx.doi.org/10.1063/1.5118005 Text en © 2019 Author(s). 2329-7778/2019/6(4)/044301/12 All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle ARTICLES
Schouder, Constant
Chatterley, Adam S.
Calvo, Florent
Christiansen, Lars
Stapelfeldt, Henrik
Structure determination of the tetracene dimer in helium nanodroplets using femtosecond strong-field ionization
title Structure determination of the tetracene dimer in helium nanodroplets using femtosecond strong-field ionization
title_full Structure determination of the tetracene dimer in helium nanodroplets using femtosecond strong-field ionization
title_fullStr Structure determination of the tetracene dimer in helium nanodroplets using femtosecond strong-field ionization
title_full_unstemmed Structure determination of the tetracene dimer in helium nanodroplets using femtosecond strong-field ionization
title_short Structure determination of the tetracene dimer in helium nanodroplets using femtosecond strong-field ionization
title_sort structure determination of the tetracene dimer in helium nanodroplets using femtosecond strong-field ionization
topic ARTICLES
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6711753/
https://www.ncbi.nlm.nih.gov/pubmed/31463336
http://dx.doi.org/10.1063/1.5118005
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