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
2017
发表期刊JOURNAL OF PHYSICAL CHEMISTRY A
ISSN1089-5639
卷号121期号:10页码:2108-2113
文章类型期刊论文
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.
DOI10.1021/acs.jpca.6b11554
收录类别SCI
语种英语
WOS记录号WOS:000396969400005
引用统计
文献类型期刊论文
条目标识符http://ir.sinap.ac.cn/handle/331007/27422
专题中科院上海应用物理研究所2011-2018年
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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.
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