Study of excited electronic states of the
Using the polarisation labelling spectroscopy, we performed the detailed analysis of the level structure of excited electronic states of the 39KCs molecule in the excitation energy interval between 17500 cm−1 and 18600 cm−1 above the v =...
Ausführliche Beschreibung
Autor*in: |
Szczepkowski, Jacek [verfasserIn] Grochola, Anna [verfasserIn] Jastrzebski, Wlodzimierz [verfasserIn] Kowalczyk, Pawel [verfasserIn] Vexiau, Romain [verfasserIn] Bouloufa-Maafa, Nadia [verfasserIn] Dulieu, Olivier [verfasserIn] |
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Format: |
E-Artikel |
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Sprache: |
Englisch |
Erschienen: |
2022 |
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Schlagwörter: |
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Übergeordnetes Werk: |
Enthalten in: Journal of quantitative spectroscopy & radiative transfer - New York, NY [u.a.] : Elsevier, 1961, 291 |
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Übergeordnetes Werk: |
volume:291 |
DOI / URN: |
10.1016/j.jqsrt.2022.108330 |
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Katalog-ID: |
ELV008400768 |
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520 | |a Using the polarisation labelling spectroscopy, we performed the detailed analysis of the level structure of excited electronic states of the 39KCs molecule in the excitation energy interval between 17500 cm−1 and 18600 cm−1 above the v = 0 level of the X 1 Σ + ground state. We prove that the observed states are strongly coupled by spin-orbit interaction above 18200 cm−1, as manifested by numerous perturbations in the recorded spectra. The spectra are interpreted with the guidance of accurate electronic structure calculations on KCs, including potential energy curves, transition electric dipole moments, and representation of the spin-orbit interaction with a quasi-diabatic effective Hamiltonian approach. The agreement between theory and experiment is found satisfactory and better than in case of previously available theoretical data. This study confirms the accuracy of the polarisation labelling spectroscopy to analyse highly-excited electronic molecular states which present a dense level structure. | ||
650 | 4 | |a Laser spectroscopy | |
650 | 4 | |a KCs molecules | |
650 | 4 | |a Electronic states | |
650 | 4 | |a Potential energy curves | |
650 | 4 | |a Ab initio calculations | |
700 | 1 | |a Grochola, Anna |e verfasserin |4 aut | |
700 | 1 | |a Jastrzebski, Wlodzimierz |e verfasserin |4 aut | |
700 | 1 | |a Kowalczyk, Pawel |e verfasserin |4 aut | |
700 | 1 | |a Vexiau, Romain |e verfasserin |4 aut | |
700 | 1 | |a Bouloufa-Maafa, Nadia |e verfasserin |4 aut | |
700 | 1 | |a Dulieu, Olivier |e verfasserin |4 aut | |
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publishDate |
2022 |
allfields |
10.1016/j.jqsrt.2022.108330 doi (DE-627)ELV008400768 (ELSEVIER)S0022-4073(22)00265-5 DE-627 ger DE-627 rda eng 530 DE-600 33.00 bkl Szczepkowski, Jacek verfasserin (orcid)0000-0003-4984-1663 aut Study of excited electronic states of the 2022 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Using the polarisation labelling spectroscopy, we performed the detailed analysis of the level structure of excited electronic states of the 39KCs molecule in the excitation energy interval between 17500 cm−1 and 18600 cm−1 above the v = 0 level of the X 1 Σ + ground state. We prove that the observed states are strongly coupled by spin-orbit interaction above 18200 cm−1, as manifested by numerous perturbations in the recorded spectra. The spectra are interpreted with the guidance of accurate electronic structure calculations on KCs, including potential energy curves, transition electric dipole moments, and representation of the spin-orbit interaction with a quasi-diabatic effective Hamiltonian approach. The agreement between theory and experiment is found satisfactory and better than in case of previously available theoretical data. This study confirms the accuracy of the polarisation labelling spectroscopy to analyse highly-excited electronic molecular states which present a dense level structure. Laser spectroscopy KCs molecules Electronic states Potential energy curves Ab initio calculations Grochola, Anna verfasserin aut Jastrzebski, Wlodzimierz verfasserin aut Kowalczyk, Pawel verfasserin aut Vexiau, Romain verfasserin aut Bouloufa-Maafa, Nadia verfasserin aut Dulieu, Olivier verfasserin aut Enthalten in Journal of quantitative spectroscopy & radiative transfer New York, NY [u.a.] : Elsevier, 1961 291 Online-Ressource (DE-627)302718931 (DE-600)1491916-3 (DE-576)255266650 1879-1352 nnns volume:291 GBV_USEFLAG_U SYSFLAG_U GBV_ELV SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 33.00 Physik: Allgemeines AR 291 |
spelling |
10.1016/j.jqsrt.2022.108330 doi (DE-627)ELV008400768 (ELSEVIER)S0022-4073(22)00265-5 DE-627 ger DE-627 rda eng 530 DE-600 33.00 bkl Szczepkowski, Jacek verfasserin (orcid)0000-0003-4984-1663 aut Study of excited electronic states of the 2022 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Using the polarisation labelling spectroscopy, we performed the detailed analysis of the level structure of excited electronic states of the 39KCs molecule in the excitation energy interval between 17500 cm−1 and 18600 cm−1 above the v = 0 level of the X 1 Σ + ground state. We prove that the observed states are strongly coupled by spin-orbit interaction above 18200 cm−1, as manifested by numerous perturbations in the recorded spectra. The spectra are interpreted with the guidance of accurate electronic structure calculations on KCs, including potential energy curves, transition electric dipole moments, and representation of the spin-orbit interaction with a quasi-diabatic effective Hamiltonian approach. The agreement between theory and experiment is found satisfactory and better than in case of previously available theoretical data. This study confirms the accuracy of the polarisation labelling spectroscopy to analyse highly-excited electronic molecular states which present a dense level structure. Laser spectroscopy KCs molecules Electronic states Potential energy curves Ab initio calculations Grochola, Anna verfasserin aut Jastrzebski, Wlodzimierz verfasserin aut Kowalczyk, Pawel verfasserin aut Vexiau, Romain verfasserin aut Bouloufa-Maafa, Nadia verfasserin aut Dulieu, Olivier verfasserin aut Enthalten in Journal of quantitative spectroscopy & radiative transfer New York, NY [u.a.] : Elsevier, 1961 291 Online-Ressource (DE-627)302718931 (DE-600)1491916-3 (DE-576)255266650 1879-1352 nnns volume:291 GBV_USEFLAG_U SYSFLAG_U GBV_ELV SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 33.00 Physik: Allgemeines AR 291 |
allfields_unstemmed |
10.1016/j.jqsrt.2022.108330 doi (DE-627)ELV008400768 (ELSEVIER)S0022-4073(22)00265-5 DE-627 ger DE-627 rda eng 530 DE-600 33.00 bkl Szczepkowski, Jacek verfasserin (orcid)0000-0003-4984-1663 aut Study of excited electronic states of the 2022 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Using the polarisation labelling spectroscopy, we performed the detailed analysis of the level structure of excited electronic states of the 39KCs molecule in the excitation energy interval between 17500 cm−1 and 18600 cm−1 above the v = 0 level of the X 1 Σ + ground state. We prove that the observed states are strongly coupled by spin-orbit interaction above 18200 cm−1, as manifested by numerous perturbations in the recorded spectra. The spectra are interpreted with the guidance of accurate electronic structure calculations on KCs, including potential energy curves, transition electric dipole moments, and representation of the spin-orbit interaction with a quasi-diabatic effective Hamiltonian approach. The agreement between theory and experiment is found satisfactory and better than in case of previously available theoretical data. This study confirms the accuracy of the polarisation labelling spectroscopy to analyse highly-excited electronic molecular states which present a dense level structure. Laser spectroscopy KCs molecules Electronic states Potential energy curves Ab initio calculations Grochola, Anna verfasserin aut Jastrzebski, Wlodzimierz verfasserin aut Kowalczyk, Pawel verfasserin aut Vexiau, Romain verfasserin aut Bouloufa-Maafa, Nadia verfasserin aut Dulieu, Olivier verfasserin aut Enthalten in Journal of quantitative spectroscopy & radiative transfer New York, NY [u.a.] : Elsevier, 1961 291 Online-Ressource (DE-627)302718931 (DE-600)1491916-3 (DE-576)255266650 1879-1352 nnns volume:291 GBV_USEFLAG_U SYSFLAG_U GBV_ELV SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 33.00 Physik: Allgemeines AR 291 |
allfieldsGer |
10.1016/j.jqsrt.2022.108330 doi (DE-627)ELV008400768 (ELSEVIER)S0022-4073(22)00265-5 DE-627 ger DE-627 rda eng 530 DE-600 33.00 bkl Szczepkowski, Jacek verfasserin (orcid)0000-0003-4984-1663 aut Study of excited electronic states of the 2022 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier Using the polarisation labelling spectroscopy, we performed the detailed analysis of the level structure of excited electronic states of the 39KCs molecule in the excitation energy interval between 17500 cm−1 and 18600 cm−1 above the v = 0 level of the X 1 Σ + ground state. We prove that the observed states are strongly coupled by spin-orbit interaction above 18200 cm−1, as manifested by numerous perturbations in the recorded spectra. The spectra are interpreted with the guidance of accurate electronic structure calculations on KCs, including potential energy curves, transition electric dipole moments, and representation of the spin-orbit interaction with a quasi-diabatic effective Hamiltonian approach. The agreement between theory and experiment is found satisfactory and better than in case of previously available theoretical data. This study confirms the accuracy of the polarisation labelling spectroscopy to analyse highly-excited electronic molecular states which present a dense level structure. Laser spectroscopy KCs molecules Electronic states Potential energy curves Ab initio calculations Grochola, Anna verfasserin aut Jastrzebski, Wlodzimierz verfasserin aut Kowalczyk, Pawel verfasserin aut Vexiau, Romain verfasserin aut Bouloufa-Maafa, Nadia verfasserin aut Dulieu, Olivier verfasserin aut Enthalten in Journal of quantitative spectroscopy & radiative transfer New York, NY [u.a.] : Elsevier, 1961 291 Online-Ressource (DE-627)302718931 (DE-600)1491916-3 (DE-576)255266650 1879-1352 nnns volume:291 GBV_USEFLAG_U SYSFLAG_U GBV_ELV SSG-OLC-PHA GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4325 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 33.00 Physik: Allgemeines AR 291 |
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Journal of quantitative spectroscopy & radiative transfer |
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Szczepkowski, Jacek Grochola, Anna Jastrzebski, Wlodzimierz Kowalczyk, Pawel Vexiau, Romain Bouloufa-Maafa, Nadia Dulieu, Olivier |
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Elektronische Aufsätze |
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Szczepkowski, Jacek |
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10.1016/j.jqsrt.2022.108330 |
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title_sort |
study of excited electronic states of the |
title_auth |
Study of excited electronic states of the |
abstract |
Using the polarisation labelling spectroscopy, we performed the detailed analysis of the level structure of excited electronic states of the 39KCs molecule in the excitation energy interval between 17500 cm−1 and 18600 cm−1 above the v = 0 level of the X 1 Σ + ground state. We prove that the observed states are strongly coupled by spin-orbit interaction above 18200 cm−1, as manifested by numerous perturbations in the recorded spectra. The spectra are interpreted with the guidance of accurate electronic structure calculations on KCs, including potential energy curves, transition electric dipole moments, and representation of the spin-orbit interaction with a quasi-diabatic effective Hamiltonian approach. The agreement between theory and experiment is found satisfactory and better than in case of previously available theoretical data. This study confirms the accuracy of the polarisation labelling spectroscopy to analyse highly-excited electronic molecular states which present a dense level structure. |
abstractGer |
Using the polarisation labelling spectroscopy, we performed the detailed analysis of the level structure of excited electronic states of the 39KCs molecule in the excitation energy interval between 17500 cm−1 and 18600 cm−1 above the v = 0 level of the X 1 Σ + ground state. We prove that the observed states are strongly coupled by spin-orbit interaction above 18200 cm−1, as manifested by numerous perturbations in the recorded spectra. The spectra are interpreted with the guidance of accurate electronic structure calculations on KCs, including potential energy curves, transition electric dipole moments, and representation of the spin-orbit interaction with a quasi-diabatic effective Hamiltonian approach. The agreement between theory and experiment is found satisfactory and better than in case of previously available theoretical data. This study confirms the accuracy of the polarisation labelling spectroscopy to analyse highly-excited electronic molecular states which present a dense level structure. |
abstract_unstemmed |
Using the polarisation labelling spectroscopy, we performed the detailed analysis of the level structure of excited electronic states of the 39KCs molecule in the excitation energy interval between 17500 cm−1 and 18600 cm−1 above the v = 0 level of the X 1 Σ + ground state. We prove that the observed states are strongly coupled by spin-orbit interaction above 18200 cm−1, as manifested by numerous perturbations in the recorded spectra. The spectra are interpreted with the guidance of accurate electronic structure calculations on KCs, including potential energy curves, transition electric dipole moments, and representation of the spin-orbit interaction with a quasi-diabatic effective Hamiltonian approach. The agreement between theory and experiment is found satisfactory and better than in case of previously available theoretical data. This study confirms the accuracy of the polarisation labelling spectroscopy to analyse highly-excited electronic molecular states which present a dense level structure. |
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title_short |
Study of excited electronic states of the |
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Grochola, Anna Jastrzebski, Wlodzimierz Kowalczyk, Pawel Vexiau, Romain Bouloufa-Maafa, Nadia Dulieu, Olivier |
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Grochola, Anna Jastrzebski, Wlodzimierz Kowalczyk, Pawel Vexiau, Romain Bouloufa-Maafa, Nadia Dulieu, Olivier |
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doi_str |
10.1016/j.jqsrt.2022.108330 |
up_date |
2024-07-06T19:34:33.795Z |
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