Probing Chemical Bonding and Electronic Structures in ThO- by Anion Photoelectron Imaging and Theoretical Calculations

doi:10.1021/acs.jpca.6b11554

CORC > 上海应用物理研究所 > 中国科学院上海应用物理研究所 > 中科院上海应用物理研究所2011-2017年

	Probing Chemical Bonding and Electronic Structures in ThO- by Anion Photoelectron Imaging and Theoretical Calculations
	Li, YL; Zou, JH; Xiong, XG; Su, J; Xie, H; Fei, ZJ; Tang, ZC; Liu, HT
刊名	JOURNAL OF PHYSICAL CHEMISTRY A
	2017
卷号	121 期号:10 页码:2108-2113
ISSN号	1089-5639
DOI	10.1021/acs.jpca.6b11554
文献子类	期刊论文
英文摘要	Because of renewed research on thorium-based molten salt reactors, there is growing demand and interest in enhancing the knowledge of thorium chemistry both experimentally and theoretically. Compared with uranium, thorium has few chemical studies reported up to the present. Here we report the vibrationally resolved photoelectron imaging of the thorium monoxide anion. The electron affinity of ThO is first reported to be 0.707 +/- 0.020 eV. Vibrational frequencies of the ThO molecule and its anion are determined from Franck Condon simulation. Spectroscopic evidence is obtained for the two-electron transition in ThO-, indicating the strong electron correlation among the (7s sigma)(2)(6d delta)(1) electrons in ThO- and the (7s sigma)(2) electrons in ThO. These findings are explained by using quantum-chemical calculations including spin orbit coupling, and the chemical bonding of gaseous ThO molecules is analyzed. The present work will enrich our understanding of bonding capacities with the 6d valence shell.
语种	英语
WOS记录号	WOS:000396969400005
内容类型	期刊论文
源URL	[http://ir.sinap.ac.cn/handle/331007/27422]
专题	上海应用物理研究所_中科院上海应用物理研究所2011-2017年
推荐引用方式 GB/T 7714	Li, YL,Zou, JH,Xiong, XG,et al. Probing Chemical Bonding and Electronic Structures in ThO- by Anion Photoelectron Imaging and Theoretical Calculations[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2017,121(10):2108-2113.
APA	Li, YL.,Zou, JH.,Xiong, XG.,Su, J.,Xie, H.,...&Liu, HT.(2017).Probing Chemical Bonding and Electronic Structures in ThO- by Anion Photoelectron Imaging and Theoretical Calculations.JOURNAL OF PHYSICAL CHEMISTRY A,121(10),2108-2113.
MLA	Li, YL,et al."Probing Chemical Bonding and Electronic Structures in ThO- by Anion Photoelectron Imaging and Theoretical Calculations".JOURNAL OF PHYSICAL CHEMISTRY A 121.10(2017):2108-2113.