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

Gespeichert in:

Autor*in:	Szczepkowski, Jacek [verfasserIn] Grochola, Anna [verfasserIn] Jastrzebski, Wlodzimierz [verfasserIn] Kowalczyk, Pawel [verfasserIn] Vexiau, Romain [verfasserIn] Bouloufa-Maafa, Nadia [verfasserIn] Dulieu, Olivier [verfasserIn]

Format:	E-Artikel
Sprache:	Englisch

Erschienen:	2022

Schlagwörter:	Laser spectroscopy KCs molecules Electronic states Potential energy curves Ab initio calculations

Übergeordnetes Werk:	Enthalten in: Journal of quantitative spectroscopy & radiative transfer - New York, NY [u.a.] : Elsevier, 1961, 291
Übergeordnetes Werk:	volume:291

DOI / URN:	10.1016/j.jqsrt.2022.108330

Katalog-ID:	ELV008400768

Internformat


LEADER	01000caa a22002652 4500
001	ELV008400768
003	DE-627
005	20230524155829.0
007	cr uuu---uuuuu
008	230508s2022 xx \|\|\|\|\|o 00\| \|\|eng c
024	7		\|a 10.1016/j.jqsrt.2022.108330 \|2 doi
035			\|a (DE-627)ELV008400768
035			\|a (ELSEVIER)S0022-4073(22)00265-5
040			\|a DE-627 \|b ger \|c DE-627 \|e rda
041			\|a eng
082	0	4	\|a 530 \|q DE-600
084			\|a 33.00 \|2 bkl
100	1		\|a Szczepkowski, Jacek \|e verfasserin \|0 (orcid)0000-0003-4984-1663 \|4 aut
245	1	0	\|a Study of excited electronic states of the
264		1	\|c 2022
336			\|a nicht spezifiziert \|b zzz \|2 rdacontent
337			\|a Computermedien \|b c \|2 rdamedia
338			\|a Online-Ressource \|b cr \|2 rdacarrier
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
773	0	8	\|i Enthalten in \|t Journal of quantitative spectroscopy & radiative transfer \|d New York, NY [u.a.] : Elsevier, 1961 \|g 291 \|h Online-Ressource \|w (DE-627)302718931 \|w (DE-600)1491916-3 \|w (DE-576)255266650 \|x 1879-1352 \|7 nnns
773	1	8	\|g volume:291
912			\|a GBV_USEFLAG_U
912			\|a SYSFLAG_U
912			\|a GBV_ELV
912			\|a SSG-OLC-PHA
912			\|a GBV_ILN_20
912			\|a GBV_ILN_22
912			\|a GBV_ILN_23
912			\|a GBV_ILN_24
912			\|a GBV_ILN_31
912			\|a GBV_ILN_32
912			\|a GBV_ILN_40
912			\|a GBV_ILN_60
912			\|a GBV_ILN_62
912			\|a GBV_ILN_63
912			\|a GBV_ILN_65
912			\|a GBV_ILN_69
912			\|a GBV_ILN_70
912			\|a GBV_ILN_73
912			\|a GBV_ILN_74
912			\|a GBV_ILN_90
912			\|a GBV_ILN_95
912			\|a GBV_ILN_100
912			\|a GBV_ILN_101
912			\|a GBV_ILN_105
912			\|a GBV_ILN_110
912			\|a GBV_ILN_150
912			\|a GBV_ILN_151
912			\|a GBV_ILN_224
912			\|a GBV_ILN_370
912			\|a GBV_ILN_602
912			\|a GBV_ILN_702
912			\|a GBV_ILN_2003
912			\|a GBV_ILN_2004
912			\|a GBV_ILN_2005
912			\|a GBV_ILN_2011
912			\|a GBV_ILN_2014
912			\|a GBV_ILN_2015
912			\|a GBV_ILN_2020
912			\|a GBV_ILN_2021
912			\|a GBV_ILN_2025
912			\|a GBV_ILN_2027
912			\|a GBV_ILN_2034
912			\|a GBV_ILN_2038
912			\|a GBV_ILN_2044
912			\|a GBV_ILN_2048
912			\|a GBV_ILN_2049
912			\|a GBV_ILN_2050
912			\|a GBV_ILN_2056
912			\|a GBV_ILN_2059
912			\|a GBV_ILN_2061
912			\|a GBV_ILN_2064
912			\|a GBV_ILN_2065
912			\|a GBV_ILN_2068
912			\|a GBV_ILN_2111
912			\|a GBV_ILN_2112
912			\|a GBV_ILN_2113
912			\|a GBV_ILN_2118
912			\|a GBV_ILN_2122
912			\|a GBV_ILN_2129
912			\|a GBV_ILN_2143
912			\|a GBV_ILN_2147
912			\|a GBV_ILN_2148
912			\|a GBV_ILN_2152
912			\|a GBV_ILN_2153
912			\|a GBV_ILN_2190
912			\|a GBV_ILN_2336
912			\|a GBV_ILN_2507
912			\|a GBV_ILN_2522
912			\|a GBV_ILN_4035
912			\|a GBV_ILN_4037
912			\|a GBV_ILN_4112
912			\|a GBV_ILN_4125
912			\|a GBV_ILN_4126
912			\|a GBV_ILN_4242
912			\|a GBV_ILN_4251
912			\|a GBV_ILN_4305
912			\|a GBV_ILN_4313
912			\|a GBV_ILN_4323
912			\|a GBV_ILN_4324
912			\|a GBV_ILN_4325
912			\|a GBV_ILN_4326
912			\|a GBV_ILN_4333
912			\|a GBV_ILN_4334
912			\|a GBV_ILN_4335
912			\|a GBV_ILN_4338
912			\|a GBV_ILN_4393
936	b	k	\|a 33.00 \|j Physik: Allgemeines
951			\|a AR
952			\|d 291

Indexfelder

author_variant	j s js a g ag w j wj p k pk r v rv n b m nbm o d od
matchkey_str	article:18791352:2022----::tdoectdlcrnc
hierarchy_sort_str	2022
bklnumber	33.00
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
allfieldsSound	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
language	English
source	Enthalten in Journal of quantitative spectroscopy & radiative transfer 291 volume:291
sourceStr	Enthalten in Journal of quantitative spectroscopy & radiative transfer 291 volume:291
format_phy_str_mv	Article
bklname	Physik: Allgemeines
institution	findex.gbv.de
topic_facet	Laser spectroscopy KCs molecules Electronic states Potential energy curves Ab initio calculations
dewey-raw	530
isfreeaccess_bool	false
container_title	Journal of quantitative spectroscopy & radiative transfer
authorswithroles_txt_mv	Szczepkowski, Jacek @@aut@@ Grochola, Anna @@aut@@ Jastrzebski, Wlodzimierz @@aut@@ Kowalczyk, Pawel @@aut@@ Vexiau, Romain @@aut@@ Bouloufa-Maafa, Nadia @@aut@@ Dulieu, Olivier @@aut@@
publishDateDaySort_date	2022-01-01T00:00:00Z
hierarchy_top_id	302718931
dewey-sort	3530
id	ELV008400768
language_de	englisch
fullrecord	<?xml version="1.0" encoding="UTF-8"?><collection xmlns="http://www.loc.gov/MARC21/slim"><record><leader>01000caa a22002652 4500</leader><controlfield tag="001">ELV008400768</controlfield><controlfield tag="003">DE-627</controlfield><controlfield tag="005">20230524155829.0</controlfield><controlfield tag="007">cr uuu---uuuuu</controlfield><controlfield tag="008">230508s2022 xx \|\|\|\|\|o 00\| \|\|eng c</controlfield><datafield tag="024" ind1="7" ind2=" "><subfield code="a">10.1016/j.jqsrt.2022.108330</subfield><subfield code="2">doi</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-627)ELV008400768</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(ELSEVIER)S0022-4073(22)00265-5</subfield></datafield><datafield tag="040" ind1=" " ind2=" "><subfield code="a">DE-627</subfield><subfield code="b">ger</subfield><subfield code="c">DE-627</subfield><subfield code="e">rda</subfield></datafield><datafield tag="041" ind1=" " ind2=" "><subfield code="a">eng</subfield></datafield><datafield tag="082" ind1="0" ind2="4"><subfield code="a">530</subfield><subfield code="q">DE-600</subfield></datafield><datafield tag="084" ind1=" " ind2=" "><subfield code="a">33.00</subfield><subfield code="2">bkl</subfield></datafield><datafield tag="100" ind1="1" ind2=" "><subfield code="a">Szczepkowski, Jacek</subfield><subfield code="e">verfasserin</subfield><subfield code="0">(orcid)0000-0003-4984-1663</subfield><subfield code="4">aut</subfield></datafield><datafield tag="245" ind1="1" ind2="0"><subfield code="a">Study of excited electronic states of the</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="c">2022</subfield></datafield><datafield tag="336" ind1=" " ind2=" "><subfield code="a">nicht spezifiziert</subfield><subfield code="b">zzz</subfield><subfield code="2">rdacontent</subfield></datafield><datafield tag="337" ind1=" " ind2=" "><subfield code="a">Computermedien</subfield><subfield code="b">c</subfield><subfield code="2">rdamedia</subfield></datafield><datafield tag="338" ind1=" " ind2=" "><subfield code="a">Online-Ressource</subfield><subfield code="b">cr</subfield><subfield code="2">rdacarrier</subfield></datafield><datafield tag="520" ind1=" " ind2=" "><subfield code="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.</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Laser spectroscopy</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">KCs molecules</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Electronic states</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Potential energy curves</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Ab initio calculations</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Grochola, Anna</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Jastrzebski, Wlodzimierz</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Kowalczyk, Pawel</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Vexiau, Romain</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Bouloufa-Maafa, Nadia</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Dulieu, Olivier</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="773" ind1="0" ind2="8"><subfield code="i">Enthalten in</subfield><subfield code="t">Journal of quantitative spectroscopy & radiative transfer</subfield><subfield code="d">New York, NY [u.a.] : Elsevier, 1961</subfield><subfield code="g">291</subfield><subfield code="h">Online-Ressource</subfield><subfield code="w">(DE-627)302718931</subfield><subfield code="w">(DE-600)1491916-3</subfield><subfield code="w">(DE-576)255266650</subfield><subfield code="x">1879-1352</subfield><subfield code="7">nnns</subfield></datafield><datafield tag="773" ind1="1" ind2="8"><subfield code="g">volume:291</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_USEFLAG_U</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SYSFLAG_U</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ELV</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SSG-OLC-PHA</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_20</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_22</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_23</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_24</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_31</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_32</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_40</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_60</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_62</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_63</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_65</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_69</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_70</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_73</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_74</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_90</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_95</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_100</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_101</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_105</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_110</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_150</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_151</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_224</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_370</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_602</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_702</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2003</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2004</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2005</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2011</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2014</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2015</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2020</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2021</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2025</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2027</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2034</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2038</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2044</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2048</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2049</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2050</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2056</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2059</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2061</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2064</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2065</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2068</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2111</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2112</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2113</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2118</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2122</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2129</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2143</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2147</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2148</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2152</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2153</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2190</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2336</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2507</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2522</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4035</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4037</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4112</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4125</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4126</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4242</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4251</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4305</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4313</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4323</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4324</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4325</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4326</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4333</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4334</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4335</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4338</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4393</subfield></datafield><datafield tag="936" ind1="b" ind2="k"><subfield code="a">33.00</subfield><subfield code="j">Physik: Allgemeines</subfield></datafield><datafield tag="951" ind1=" " ind2=" "><subfield code="a">AR</subfield></datafield><datafield tag="952" ind1=" " ind2=" "><subfield code="d">291</subfield></datafield></record></collection>
author	Szczepkowski, Jacek
spellingShingle	Szczepkowski, Jacek ddc 530 bkl 33.00 misc Laser spectroscopy misc KCs molecules misc Electronic states misc Potential energy curves misc Ab initio calculations Study of excited electronic states of the
authorStr	Szczepkowski, Jacek
ppnlink_with_tag_str_mv	@@773@@(DE-627)302718931
format	electronic Article
dewey-ones	530 - Physics
delete_txt_mv	keep
author_role	aut aut aut aut aut aut aut
collection	elsevier
remote_str	true
illustrated	Not Illustrated
issn	1879-1352
topic_title	530 DE-600 33.00 bkl Study of excited electronic states of the Laser spectroscopy KCs molecules Electronic states Potential energy curves Ab initio calculations
topic	ddc 530 bkl 33.00 misc Laser spectroscopy misc KCs molecules misc Electronic states misc Potential energy curves misc Ab initio calculations
topic_unstemmed	ddc 530 bkl 33.00 misc Laser spectroscopy misc KCs molecules misc Electronic states misc Potential energy curves misc Ab initio calculations
topic_browse	ddc 530 bkl 33.00 misc Laser spectroscopy misc KCs molecules misc Electronic states misc Potential energy curves misc Ab initio calculations
format_facet	Elektronische Aufsätze Aufsätze Elektronische Ressource
format_main_str_mv	Text Zeitschrift/Artikel
carriertype_str_mv	cr
hierarchy_parent_title	Journal of quantitative spectroscopy & radiative transfer
hierarchy_parent_id	302718931
dewey-tens	530 - Physics
hierarchy_top_title	Journal of quantitative spectroscopy & radiative transfer
isfreeaccess_txt	false
familylinks_str_mv	(DE-627)302718931 (DE-600)1491916-3 (DE-576)255266650
title	Study of excited electronic states of the
ctrlnum	(DE-627)ELV008400768 (ELSEVIER)S0022-4073(22)00265-5
title_full	Study of excited electronic states of the
author_sort	Szczepkowski, Jacek
journal	Journal of quantitative spectroscopy & radiative transfer
journalStr	Journal of quantitative spectroscopy & radiative transfer
lang_code	eng
isOA_bool	false
dewey-hundreds	500 - Science
recordtype	marc
publishDateSort	2022
contenttype_str_mv	zzz
author_browse	Szczepkowski, Jacek Grochola, Anna Jastrzebski, Wlodzimierz Kowalczyk, Pawel Vexiau, Romain Bouloufa-Maafa, Nadia Dulieu, Olivier
container_volume	291
class	530 DE-600 33.00 bkl
format_se	Elektronische Aufsätze
author-letter	Szczepkowski, Jacek
doi_str_mv	10.1016/j.jqsrt.2022.108330
normlink	(ORCID)0000-0003-4984-1663
normlink_prefix_str_mv	(orcid)0000-0003-4984-1663
dewey-full	530
author2-role	verfasserin
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.
collection_details	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
title_short	Study of excited electronic states of the
remote_bool	true
author2	Grochola, Anna Jastrzebski, Wlodzimierz Kowalczyk, Pawel Vexiau, Romain Bouloufa-Maafa, Nadia Dulieu, Olivier
author2Str	Grochola, Anna Jastrzebski, Wlodzimierz Kowalczyk, Pawel Vexiau, Romain Bouloufa-Maafa, Nadia Dulieu, Olivier
ppnlink	302718931
mediatype_str_mv	c
isOA_txt	false
hochschulschrift_bool	false
doi_str	10.1016/j.jqsrt.2022.108330
up_date	2024-07-06T19:34:33.795Z
_version_	1803859498154065920
fullrecord_marcxml	<?xml version="1.0" encoding="UTF-8"?><collection xmlns="http://www.loc.gov/MARC21/slim"><record><leader>01000caa a22002652 4500</leader><controlfield tag="001">ELV008400768</controlfield><controlfield tag="003">DE-627</controlfield><controlfield tag="005">20230524155829.0</controlfield><controlfield tag="007">cr uuu---uuuuu</controlfield><controlfield tag="008">230508s2022 xx \|\|\|\|\|o 00\| \|\|eng c</controlfield><datafield tag="024" ind1="7" ind2=" "><subfield code="a">10.1016/j.jqsrt.2022.108330</subfield><subfield code="2">doi</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-627)ELV008400768</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(ELSEVIER)S0022-4073(22)00265-5</subfield></datafield><datafield tag="040" ind1=" " ind2=" "><subfield code="a">DE-627</subfield><subfield code="b">ger</subfield><subfield code="c">DE-627</subfield><subfield code="e">rda</subfield></datafield><datafield tag="041" ind1=" " ind2=" "><subfield code="a">eng</subfield></datafield><datafield tag="082" ind1="0" ind2="4"><subfield code="a">530</subfield><subfield code="q">DE-600</subfield></datafield><datafield tag="084" ind1=" " ind2=" "><subfield code="a">33.00</subfield><subfield code="2">bkl</subfield></datafield><datafield tag="100" ind1="1" ind2=" "><subfield code="a">Szczepkowski, Jacek</subfield><subfield code="e">verfasserin</subfield><subfield code="0">(orcid)0000-0003-4984-1663</subfield><subfield code="4">aut</subfield></datafield><datafield tag="245" ind1="1" ind2="0"><subfield code="a">Study of excited electronic states of the</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="c">2022</subfield></datafield><datafield tag="336" ind1=" " ind2=" "><subfield code="a">nicht spezifiziert</subfield><subfield code="b">zzz</subfield><subfield code="2">rdacontent</subfield></datafield><datafield tag="337" ind1=" " ind2=" "><subfield code="a">Computermedien</subfield><subfield code="b">c</subfield><subfield code="2">rdamedia</subfield></datafield><datafield tag="338" ind1=" " ind2=" "><subfield code="a">Online-Ressource</subfield><subfield code="b">cr</subfield><subfield code="2">rdacarrier</subfield></datafield><datafield tag="520" ind1=" " ind2=" "><subfield code="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.</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Laser spectroscopy</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">KCs molecules</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Electronic states</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Potential energy curves</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Ab initio calculations</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Grochola, Anna</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Jastrzebski, Wlodzimierz</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Kowalczyk, Pawel</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Vexiau, Romain</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Bouloufa-Maafa, Nadia</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Dulieu, Olivier</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="773" ind1="0" ind2="8"><subfield code="i">Enthalten in</subfield><subfield code="t">Journal of quantitative spectroscopy & radiative transfer</subfield><subfield code="d">New York, NY [u.a.] : Elsevier, 1961</subfield><subfield code="g">291</subfield><subfield code="h">Online-Ressource</subfield><subfield code="w">(DE-627)302718931</subfield><subfield code="w">(DE-600)1491916-3</subfield><subfield code="w">(DE-576)255266650</subfield><subfield code="x">1879-1352</subfield><subfield code="7">nnns</subfield></datafield><datafield tag="773" ind1="1" ind2="8"><subfield code="g">volume:291</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_USEFLAG_U</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SYSFLAG_U</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ELV</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SSG-OLC-PHA</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_20</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_22</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_23</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_24</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_31</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_32</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_40</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_60</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_62</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_63</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_65</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_69</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_70</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_73</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_74</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_90</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_95</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_100</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_101</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_105</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_110</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_150</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_151</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_224</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_370</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_602</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_702</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2003</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2004</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2005</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2011</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2014</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2015</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2020</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2021</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2025</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2027</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2034</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2038</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2044</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2048</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2049</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2050</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2056</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2059</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2061</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2064</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2065</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2068</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2111</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2112</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2113</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2118</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2122</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2129</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2143</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2147</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2148</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2152</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2153</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2190</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2336</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2507</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_2522</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4035</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4037</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4112</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4125</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4126</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4242</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4251</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4305</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4313</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4323</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4324</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4325</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4326</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4333</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4334</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4335</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4338</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ILN_4393</subfield></datafield><datafield tag="936" ind1="b" ind2="k"><subfield code="a">33.00</subfield><subfield code="j">Physik: Allgemeines</subfield></datafield><datafield tag="951" ind1=" " ind2=" "><subfield code="a">AR</subfield></datafield><datafield tag="952" ind1=" " ind2=" "><subfield code="d">291</subfield></datafield></record></collection>
score	7.400257

Nicht das Richtige dabei?

Schreiben Sie uns!

Study of excited electronic states of the

Nicht das Richtige dabei?

Zugang & Verfügbarkeit

Vorhandene Bände

Nicht das Richtige dabei?