Electronic transitions of tantalum monofluoride

doi:10.1063/1.4977215

CORC > 北京大学 > 化学与分子工程学院

	Electronic transitions of tantalum monofluoride
	Ng, K. F. ; Zou, Wenli ; Liu, Wenjian ; Cheung, A. S.C.
刊名	JOURNAL OF CHEMICAL PHYSICS
	2017
关键词	CONFIGURATION-INTERACTION CALCULATIONS LASER SPECTROSCOPY STATES
DOI	10.1063/1.4977215
英文摘要	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 X-3 Sigma(-) (0(+)) state has been identified to be the ground state and the determined equilibrium bond length, r(e), and vibrational frequency, omega(e), are 1.8184 (A) over circle and 700.1 cm(-1), respectively. The low-lying A-S states and Omega sub-states of TaF were also theoretically studied at the MRCISD+ Q level of theory with spin-orbit coupling. The Omega = 0(+) and 2 sub-states from the 3 Sigma(-) and (3)Phi state have been found to be the ground and the first excited states, respectively, which agrees well with our experimental determinations. This work represents the first experimental investigation of the molecular structure of the TaF molecule. Published by AIP Publishing.; University Research Committee of the University of Hong Kong; SCI(E); ARTICLE; 9; 146
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/474653]
专题	化学与分子工程学院
推荐引用方式 GB/T 7714	Ng, K. F.,Zou, Wenli,Liu, Wenjian,et al. Electronic transitions of tantalum monofluoride[J]. JOURNAL OF CHEMICAL PHYSICS,2017.
APA	Ng, K. F.,Zou, Wenli,Liu, Wenjian,&Cheung, A. S.C..(2017).Electronic transitions of tantalum monofluoride.JOURNAL OF CHEMICAL PHYSICS.
MLA	Ng, K. F.,et al."Electronic transitions of tantalum monofluoride".JOURNAL OF CHEMICAL PHYSICS (2017).