Probing Chemical Bonding and Electronic Structures in ThO- by Anion Photoelectron Imaging and Theoretical Calculations
文献类型：期刊论文
| 作者 | Su, Jing1; Xie, Hua2; Fei, Zejie1; Liu, Hongtao1; Tang, Zichao3; Li, Yanli1; Zou, Jinghan2; Xiong, Xiao-Gen1 |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY A
 |
| 出版日期 | 2017-03-16 |
| 卷号 | 121期号:10页码:2108-2113 |
| ISSN号 | 1089-5639 |
| DOI | 10.1021/acs.jpca.6b11554 |
| 文献子类 | Article |
| 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. |
| WOS关键词 | MULTIREFERENCE PERTURBATION-THEORY ; INFRARED-SPECTRA ; ROTATIONAL ANALYSIS ; BAND SYSTEMS ; EXCITED-STATES ; WAVE-FUNCTIONS ; BASIS-SETS ; UO2 ; CHEMISTRY ; ELEMENTS |
| WOS研究方向 | Chemistry ; Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000396969400005 |
| 出版者 | AMER CHEMICAL SOC |
| 源URL | [http://cas-ir.dicp.ac.cn/handle/321008/169386]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 通讯作者 | Liu, Hongtao; Tang, Zichao; Xiong, Xiao-Gen |
| 作者单位 | 1.Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China 2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China 3.Xiamen Univ, Coll Chem & Chem Engn, Dept Chem, State Key Lab Phys Chem Solid Surfaces, Xiamen 361005, Peoples R China |
| 推荐引用方式 GB/T 7714 | Su, Jing,Xie, Hua,Fei, Zejie,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 | Su, Jing.,Xie, Hua.,Fei, Zejie.,Liu, Hongtao.,Tang, Zichao.,...&Xiong, Xiao-Gen.(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 | Su, Jing,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. |
入库方式： OAI收割
来源：大连化学物理研究所
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