Spin-Orbit Splittings and Low-Lying Electronic States of AuSi and AuGe: Anion Photoelectron Spectroscopy and ab Initio Calculations
文献类型：期刊论文
| 作者 | Quoc Tri Tran1; Lu, Sheng-Jie2; Zhao, Li-Juan3,4; Xu, Xi-Ling2,5; Xu, Hong-Guang2,5; Van Tan Tran1; Li, Jun3,4; Zheng, Wei Jun2,5 |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY A
 |
| 出版日期 | 2018-04-05 |
| 卷号 | 122期号:13页码:3374-3382 |
| ISSN号 | 1089-5639 |
| DOI | 10.1021/acs.jpca.8b01366 |
| 英文摘要 | We measured the photoelectron spectra of diatomic AuSi- and AuGe- and conducted calculations on the structures and electronic properties of AuSi-/0 and AuGe-/0. The calculations at the CASSCF/CASPT2 level confirmed that experimentally observed spectra features of AuSi- and AuGe- can be attributed to the transitions from the 3 Sigma(-) anionic ground state to the (2)Pi ((2)Pi(1/2) and (2)Pi(3/2)), (4)Sigma(-), 3(2)Sigma(+), and 4(2)Sigma(+) electronic states of their neutral counterparts. The electron affinities (EAs) of AuSi- and AuGe are determined by the experiments to be 1.54 +/- 0.05 and 1.51 +/- 0.05 eV, respectively. The spin orbit splittings ((2)Pi(1/2)-(2)Pi(3/2)) of AuSi- and AuGe measured in this work are in agreement with the literature values. The energy difference between the (4)Sigma(-) (A) and (2)Pi(1/2) states of AuSi obtained in this work is in reasonable agreement with the literature value, while that of AuGe obtained in this work by anion photoelectron spectroscopy is slightly larger than the literature value by neutral emission spectroscopy. The term energies of the 3(2)Sigma(+) (B) and 4(2)Sigma(+) (C) states of AuSi and AuGe were also determined based on the photoelectron spectra. Because of the different bond lengths between the anionic and neutral states, the electronic state terms energies of AuSi and AuGe estimated from the anion photoelectron spectra might be slightly different from those obtained from the neutral emission spectra. |
| 语种 | 英语 |
| WOS记录号 | WOS:000429625900005 |
| 出版者 | AMER CHEMICAL SOC |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/46113]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Van Tan Tran; Li, Jun; Zheng, Wei Jun |
| 作者单位 | 1.Dong Thap Univ, Theoret & Phys Chem Div, 783 Pham Huu Lau,Ward 6, Cao Lanh City, Dong Thap, Vietnam 2.Chinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, BNLMS, Beijing 100190, Peoples R China 3.Tsinghua Univ, Minist Educ, Dept Chem, Beijing 100084, Peoples R China 4.Tsinghua Univ, Minist Educ, Key Lab Organ Optoelect & Mol Engn, Beijing 100084, Peoples R China 5.Univ Chinese Acad Sci, Beijing 100049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Quoc Tri Tran,Lu, Sheng-Jie,Zhao, Li-Juan,et al. Spin-Orbit Splittings and Low-Lying Electronic States of AuSi and AuGe: Anion Photoelectron Spectroscopy and ab Initio Calculations[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2018,122(13):3374-3382. |
| APA | Quoc Tri Tran.,Lu, Sheng-Jie.,Zhao, Li-Juan.,Xu, Xi-Ling.,Xu, Hong-Guang.,...&Zheng, Wei Jun.(2018).Spin-Orbit Splittings and Low-Lying Electronic States of AuSi and AuGe: Anion Photoelectron Spectroscopy and ab Initio Calculations.JOURNAL OF PHYSICAL CHEMISTRY A,122(13),3374-3382. |
| MLA | Quoc Tri Tran,et al."Spin-Orbit Splittings and Low-Lying Electronic States of AuSi and AuGe: Anion Photoelectron Spectroscopy and ab Initio Calculations".JOURNAL OF PHYSICAL CHEMISTRY A 122.13(2018):3374-3382. |
入库方式： OAI收割
来源：化学研究所
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