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Laser cooling of InF, InCl and InH with an ab initio study

The feasibility of laser cooling InF, InCl and InH is investigated based on ab initio quantum chemistry. To determine their suitability for laser cooling molecules, we have calculated the electronic structures, spectroscopic parameters, transition dipole moments (TDMs), radiative lifetimes, Franck–C...

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Detalles Bibliográficos
Autores principales: Yang, Rong, Tang, Bin, Han, XiangYu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9072600/
https://www.ncbi.nlm.nih.gov/pubmed/35527968
http://dx.doi.org/10.1039/c9ra03482j
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author Yang, Rong
Tang, Bin
Han, XiangYu
author_facet Yang, Rong
Tang, Bin
Han, XiangYu
author_sort Yang, Rong
collection PubMed
description The feasibility of laser cooling InF, InCl and InH is investigated based on ab initio quantum chemistry. To determine their suitability for laser cooling molecules, we have calculated the electronic structures, spectroscopic parameters, transition dipole moments (TDMs), radiative lifetimes, Franck–Condon factors (FCFs) and diode laser excitation wavelengths of InF, InCl and InH. Calculated spectroscopic constants of the first three electronic states for InF, InCl and InH show good agreement with available theoretical and experimental results. InF has highly diagonally distributed FCFs (f(00) = 0.961, f(11) = 0.909) for the C(1)Π → X(1)Σ(+) transition, and the rather short lifetime of the state C(1)Π is computed to be 2.77 ns at the lowest vibrational level. Notable is that the (3)Π → X(1)Σ(+) transition of InF also has large diagonal FCFs and short lifetimes. Therefore, InCl and InH are not potential laser-cooling candidates because the FCFs of the (1)Π → X(1)Σ(+) transition are off-diagonal. We further propose laser cooling schemes for InF. The present results could provide a promising theoretical reference for further theoretical and experimental research on InF, InCl and InH.
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spelling pubmed-90726002022-05-06 Laser cooling of InF, InCl and InH with an ab initio study Yang, Rong Tang, Bin Han, XiangYu RSC Adv Chemistry The feasibility of laser cooling InF, InCl and InH is investigated based on ab initio quantum chemistry. To determine their suitability for laser cooling molecules, we have calculated the electronic structures, spectroscopic parameters, transition dipole moments (TDMs), radiative lifetimes, Franck–Condon factors (FCFs) and diode laser excitation wavelengths of InF, InCl and InH. Calculated spectroscopic constants of the first three electronic states for InF, InCl and InH show good agreement with available theoretical and experimental results. InF has highly diagonally distributed FCFs (f(00) = 0.961, f(11) = 0.909) for the C(1)Π → X(1)Σ(+) transition, and the rather short lifetime of the state C(1)Π is computed to be 2.77 ns at the lowest vibrational level. Notable is that the (3)Π → X(1)Σ(+) transition of InF also has large diagonal FCFs and short lifetimes. Therefore, InCl and InH are not potential laser-cooling candidates because the FCFs of the (1)Π → X(1)Σ(+) transition are off-diagonal. We further propose laser cooling schemes for InF. The present results could provide a promising theoretical reference for further theoretical and experimental research on InF, InCl and InH. The Royal Society of Chemistry 2019-10-04 /pmc/articles/PMC9072600/ /pubmed/35527968 http://dx.doi.org/10.1039/c9ra03482j Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by-nc/3.0/
spellingShingle Chemistry
Yang, Rong
Tang, Bin
Han, XiangYu
Laser cooling of InF, InCl and InH with an ab initio study
title Laser cooling of InF, InCl and InH with an ab initio study
title_full Laser cooling of InF, InCl and InH with an ab initio study
title_fullStr Laser cooling of InF, InCl and InH with an ab initio study
title_full_unstemmed Laser cooling of InF, InCl and InH with an ab initio study
title_short Laser cooling of InF, InCl and InH with an ab initio study
title_sort laser cooling of inf, incl and inh with an ab initio study
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9072600/
https://www.ncbi.nlm.nih.gov/pubmed/35527968
http://dx.doi.org/10.1039/c9ra03482j
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