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Fourier-transform spectroscopy and relativistic electronic structure calculation on the c3Σ+ state of KCs
Journal of Quantitative Spectroscopy and Radiative Transfer ( IF 2.3 ) Pub Date : 2021-08-28 , DOI: 10.1016/j.jqsrt.2021.107902
A. Kruzins 1 , V. Krumins 1 , M. Tamanis 1 , R. Ferber 1 , A.V. Oleynichenko 2, 3 , A. Zaitsevskii 2, 3 , E.A. Pazyuk 3 , A.V. Stolyarov 3
Affiliation  

The Ti:Saphire laser operated within 13800 - 11800 cm1 range was used to excite the c3Σ+ state of KCs molecule directly from the ground X1Σ+ state. The laser-induced fluorescence (LIF) spectra of the c3Σ+a3Σ+ transition were recorded with Fourier-transform spectrometer within 8000 to 10000 cm1 range. Overall 673 rovibronic term values belonging to both e/f-components of the c3Σ+(Ω=1±) state of 39KCs, covering vibrational levels from v = 0 to about 45, and rotational levels J[11,149] were determined with the accuracy of about 0.01 cm1; among them 7 values for 41KCs. The experimental term values with v[0,22] were involved in a direct point-wise potential reconstruction for the c3Σ+(Ω=1±) state, which takes into account the Ω-doubling effect caused by the spin-rotational interaction with the nearby c3Σ+(Ω=0) state. The analysis and interpretation were facilitated by the fully-relativistic coupled cluster calculation of the potential energy curves for the B1Π, c3Σ+, and b3Π states, as well as of spin-forbidden cX and spin-allowed ca transition dipole moments; radiative lifetimes and vibronic branching ratios were calculated. A comparison of relative intensity distributions measured in vibrational ca LIF progressions with their theoretical counterparts unambiguously confirms the vibrational assignment suggested in [J. Szczepkowski, et al., JQSRT, 204, 133–137 (2018)].



中文翻译:

KCs c3Σ+态的傅里叶变换光谱和相对论电子结构计算

Ti:Saphire 激光器在 13800 - 11800 cm 范围内运行-1 范围被用来激发 C3Σ+ 直接来自地面的 KCs 分子状态 X1Σ+状态。激光诱导荧光 (LIF) 光谱C3Σ+一种3Σ+ 在 8000 到 10000 cm 内用傅立叶变换光谱仪记录转变-1范围。总共 673 个 rovibronic 术语值属于两者电子/F- 的组成部分 C3Σ+(Ω=1±) 的状态 39KCs,涵盖从 v = 0 到大约 45,以及旋转级别 J[11,149] 测定精度约为 0.01 cm-1; 其中 7 个值为41KCs。实验项值与v[0,22] 参与了直接逐点潜在重建 C3Σ+(Ω=1±) 状态,其中考虑到 Ω-由与附近的自旋旋转相互作用引起的加倍效应 C3Σ+(Ω=0-)状态。对势能曲线的完全相对论耦合聚类计算促进了分析和解释。1Π, C3Σ+, 和 3Π 状态,以及自旋禁止的 C-X 并允许自旋 C-一种跃迁偶极矩;计算了辐射寿命和振动分支比。振动测量中相对强度分布的比较C一种LIF 进展及其理论对应物明确证实了 [ J. Szczepkowski, et al., JQSRT, 204 , 133–137 (2018)] 中建议的振动分配。

更新日期:2021-09-12
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