An accurate prediction of the infrared spectra for Rg-CS2 (Rg = He, Ne, Ar) complexes in the v(1) + v(3) region of CS2 monomer
文献类型：期刊论文
| 作者 | Lv, Jian1; Wang, Hongli1; Zheng, Limin2; Yang, Dapeng1; Zheng, Rui1 |
| 刊名 | CHEMICAL PHYSICS LETTERS
 |
| 出版日期 | 2017-11-01 |
| 卷号 | 687页码:31-37 |
| DOI | 10.1016/j.cplett.2017.08.062 |
| 文献子类 | Article |
| 英文摘要 | We constructed three potential energy surfaces (PESs) for the ground and excited states of each complex including He-CS2, Ne-CS2, and Ar-CS2, respectively. Based on these PESs, the bound state calculations were performed to determine the rotational levels of the ground and excited states. Combining the experimental spectroscopic parameters of ground state and the rotational level differences between the ground and excited states, we accurately predicted the infrared spectra in the v(1) and v(1) + v(3) regions of CS2 monomer. The determined spectroscopic parameters and transition frequencies are in excellent agreement with the available experimental data. (V) 2017 Elsevier B.V. All rights reserved. |
| WOS关键词 | POTENTIAL-ENERGY SURFACES ; NE-CS2 ; ARGON |
| WOS研究方向 | Chemistry ; Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000412453700006 |
| 资助机构 | National Natural Science Foundation of China(11304095) ; National Natural Science Foundation of China(11304095) ; National Natural Science Foundation of China(11304095) ; National Natural Science Foundation of China(11304095) |
| 源URL | [http://ir.wipm.ac.cn/handle/112942/11425]  |
| 专题 | 武汉物理与数学研究所_理论与交叉研究部 |
| 作者单位 | 1.North China Univ Water Resources & Elect Power, Sch Math & Stat, Zhengzhou 450011, Henan, Peoples R China 2.Chinese Acad Sci, Wuhan Inst Phys & Math, Wuhan Ctr Magnet Resonance, Key Lab Magnet Resonance Biol Syst,State Key Lab, Wuhan 430071, Hubei, Peoples R China |
| 推荐引用方式 GB/T 7714 | Lv, Jian,Wang, Hongli,Zheng, Limin,et al. An accurate prediction of the infrared spectra for Rg-CS2 (Rg = He, Ne, Ar) complexes in the v(1) + v(3) region of CS2 monomer[J]. CHEMICAL PHYSICS LETTERS,2017,687:31-37. |
| APA | Lv, Jian,Wang, Hongli,Zheng, Limin,Yang, Dapeng,&Zheng, Rui.(2017).An accurate prediction of the infrared spectra for Rg-CS2 (Rg = He, Ne, Ar) complexes in the v(1) + v(3) region of CS2 monomer.CHEMICAL PHYSICS LETTERS,687,31-37. |
| MLA | Lv, Jian,et al."An accurate prediction of the infrared spectra for Rg-CS2 (Rg = He, Ne, Ar) complexes in the v(1) + v(3) region of CS2 monomer".CHEMICAL PHYSICS LETTERS 687(2017):31-37. |
入库方式： OAI收割
来源：武汉物理与数学研究所
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