Electronic transitions of tantalum monofluoride
Electronic transitions of tantalum monofluoride
复制标题
一氟化钽的电子跃迁
DOI：
--
复制
发表时间：
2017
期刊：
影响因子：
--
通讯作者：
A. Cheung
中科院分区：
文献类型：
--
作者：
K. Ng;Wenli Zou;Wenjian Liu;A. Cheung
利用激光烧蚀/反应自由射流膨胀技术和激光诱导荧光光谱技术，研究了一氟化钽（TaF）分子在448 ~ 560 nm光谱区的电子跃迁光谱。TaF分子是由激光烧蚀的钽原子与氩气中的六氟化硫气体反应产生的。记录并分析了22个具有分辨转动结构的振动带，它们被组织成7个电子跃迁。X3的<$−（0+）态被确定为基态，平衡键长re和振动频率ωe分别为1.8184 A和700.1 cm−1。在考虑自旋轨道耦合的MRCISD+Q水平上对TaF的低激发态Λ-S态和Ω亚态进行了理论研究。结果表明，Ω = 0+态和Φ − 3态的2个子态分别是基态和第一激发态，这与我们的实验结果一致。
The electronic transition spectrum of the tantalum monofluoride (TaF) molecule in the spectral region between 448 and 560 nm has been studied using the technique of laser-ablation/reaction free jet expansion and laser induced fluorescence spectroscopy. The TaF molecule was produced by reacting laser-ablated tantalum atoms with sulfur hexafluoride gas seeded in argon. Twenty-two vibrational bands with resolved rotational structure have been recorded and analyzed, which were organized into seven electronic transitions. The X3Σ−(0+) state has been identified to be the ground state and the determined equilibrium bond length, re, and vibrational frequency, ωe, are 1.8184 A and 700.1 cm−1, respectively. The low-lying Λ-S states and Ω sub-states of TaF were also theoretically studied at the MRCISD+Q level of theory with spin-orbit coupling. The Ω = 0+ and 2 sub-states from the Σ−3 and Φ3 state have been found to be the ground and the first excited states, respectively, which agrees well with our experimental det...