Fourier-transform spectroscopy and relativistic electronic structure calculation on the $c^3Σ^+$ state of KCs
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2021
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| author | Kruzins, Artis Krumins, Valts Tamanis, Maris Ferber, Ruvin Oleynichenko, Alexander V. Zaitsevskii, Andrei Pazyuk, Elena A. Stolyarov, Andrey V. |
| author_facet | Kruzins, Artis Krumins, Valts Tamanis, Maris Ferber, Ruvin Oleynichenko, Alexander V. Zaitsevskii, Andrei Pazyuk, Elena A. Stolyarov, Andrey V. |
| contents | The Ti:Saphire laser operated within 13800 - 11800 cm$^{-1}$ range was used to excite the $c^3Σ^+$ state of KCs molecule directly from the ground $X^1Σ^+$ state. The laser-induced fluorescence (LIF) spectra of the $c^3Σ^+ \rightarrow a^3Σ^+$ transition were recorded with Fourier-transform spectrometer within 8000 to 10000 cm$^{-1}$ range. Overall 673 rovibronic term values belonging to both $e/f$-components of the $c^3Σ^+(Ω=1^{\pm})$ state of $^{39}$KCs, covering vibrational levels from $v$ = 0 to about 45, and rotational levels $J\in [11,149]$ were determined with the accuracy of about 0.01 cm$^{-1}$; among them 7 values for $^{41}$KCs. The experimental term values with $v\in [0,22]$ were involved in a direct point-wise potential reconstruction for the $c^3Σ^+(Ω=1^{\pm})$ state, which takes into account the $Ω$-doubling effect caused by the spin-rotational interaction with the nearby $c^3Σ^+(Ω=0^-)$ state. The analysis and interpretation were facilitated by the fully-relativistic coupled cluster calculation of the potential energy curves for the $B^1Π$, $c^3Σ^+$, and $b^3Π$ states, as well as of spin-forbidden $c-X$ and spin-allowed $c-a$ transition dipole moments; radiative lifetimes and vibronic branching ratios were calculated. A comparison of relative intensity distributions measured in vibrational $c-a$ LIF progressions with their theoretical counterparts unambiguously confirms the vibrational assignment suggested in [\emph{J. Szczepkovski, et. al.}, JQSRT, \textbf{204}, 133-137 (2018)]. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2107_13865 |
| institution | arXiv |
| publishDate | 2021 |
| record_format | arxiv |
| spellingShingle | Fourier-transform spectroscopy and relativistic electronic structure calculation on the $c^3Σ^+$ state of KCs Kruzins, Artis Krumins, Valts Tamanis, Maris Ferber, Ruvin Oleynichenko, Alexander V. Zaitsevskii, Andrei Pazyuk, Elena A. Stolyarov, Andrey V. Atomic Physics Chemical Physics Computational Physics The Ti:Saphire laser operated within 13800 - 11800 cm$^{-1}$ range was used to excite the $c^3Σ^+$ state of KCs molecule directly from the ground $X^1Σ^+$ state. The laser-induced fluorescence (LIF) spectra of the $c^3Σ^+ \rightarrow a^3Σ^+$ transition were recorded with Fourier-transform spectrometer within 8000 to 10000 cm$^{-1}$ range. Overall 673 rovibronic term values belonging to both $e/f$-components of the $c^3Σ^+(Ω=1^{\pm})$ state of $^{39}$KCs, covering vibrational levels from $v$ = 0 to about 45, and rotational levels $J\in [11,149]$ were determined with the accuracy of about 0.01 cm$^{-1}$; among them 7 values for $^{41}$KCs. The experimental term values with $v\in [0,22]$ were involved in a direct point-wise potential reconstruction for the $c^3Σ^+(Ω=1^{\pm})$ state, which takes into account the $Ω$-doubling effect caused by the spin-rotational interaction with the nearby $c^3Σ^+(Ω=0^-)$ state. The analysis and interpretation were facilitated by the fully-relativistic coupled cluster calculation of the potential energy curves for the $B^1Π$, $c^3Σ^+$, and $b^3Π$ states, as well as of spin-forbidden $c-X$ and spin-allowed $c-a$ transition dipole moments; radiative lifetimes and vibronic branching ratios were calculated. A comparison of relative intensity distributions measured in vibrational $c-a$ LIF progressions with their theoretical counterparts unambiguously confirms the vibrational assignment suggested in [\emph{J. Szczepkovski, et. al.}, JQSRT, \textbf{204}, 133-137 (2018)]. |
| title | Fourier-transform spectroscopy and relativistic electronic structure calculation on the $c^3Σ^+$ state of KCs |
| topic | Atomic Physics Chemical Physics Computational Physics |
| url | https://arxiv.org/abs/2107.13865 |