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
The Ti:Saphire laser operated within 13800 - 11800 cm range was used to excite the state of KCs molecule directly from the ground state. The laser-induced fluorescence (LIF) spectra of the transition were recorded with Fourier-transform spectrometer within 8000 to 10000 cm range. Overall 673 rovibronic term values belonging to both -components of the state of KCs, covering vibrational levels from = 0 to about 45, and rotational levels were determined with the accuracy of about 0.01 cm; among them 7 values for KCs. The experimental term values with were involved in a direct point-wise potential reconstruction for the state, which takes into account the -doubling effect caused by the spin-rotational interaction with the nearby state. The analysis and interpretation were facilitated by the fully-relativistic coupled cluster calculation of the potential energy curves for the , , and states, as well as of spin-forbidden and spin-allowed transition dipole moments; radiative lifetimes and vibronic branching ratios were calculated. A comparison of relative intensity distributions measured in vibrational 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 范围被用来激发 直接来自地面的 KCs 分子状态 状态。激光诱导荧光 (LIF) 光谱 在 8000 到 10000 cm 内用傅立叶变换光谱仪记录转变范围。总共 673 个 rovibronic 术语值属于两者- 的组成部分 的状态 KCs,涵盖从 = 0 到大约 45,以及旋转级别 测定精度约为 0.01 cm; 其中 7 个值为KCs。实验项值与 参与了直接逐点潜在重建 状态,其中考虑到 -由与附近的自旋旋转相互作用引起的加倍效应 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。, , 和 状态,以及自旋禁止的 并允许自旋 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。