Microsolvation of sodium acetate in water: Anion photoelectron spectroscopy and ab initio calculations
文献类型：期刊论文
| 作者 | Zhang, Wen-Jing; Hou, Gao-Lei; Wang, Peng; Xu, Hong-Guang; Feng, Gang; Xu, Xi-Ling; Zheng, Wei-Jun |
| 刊名 | JOURNAL OF CHEMICAL PHYSICS
 |
| 出版日期 | 2015-08-07 |
| 卷号 | 143期号:5 |
| 英文摘要 | To understand the microsolvation of sodium acetate (CH3COONa, NaOAc) in water, we studied NaOAc(H2O)(n)(-) (n = 0-3) clusters by photoelectron spectroscopy. We also investigated the structures of NaOAc(H2O)(n)(-) (n = 0-5) anions and NaOAc(H2O) n (n = 0-7) neutrals by quantum chemistry calculations. By comparing the theoretical results with the photoelectron experiment, the most probable structures of NaOAc(H2O)(n)(-/0) (n = 0-3) were determined. The study also shows that, with increasing n, the solvent-separated ion pair (SSIP) structures of NaOAc(H2O)(n)(-) anions become nearly energetically degenerate with the contact ion pair (CIP) structures at n = 5, while the SSIP structures of the neutral NaOAc(H2O) n clusters appear at n = 6 and become dominant at n = 7. (C) 2015 AIP Publishing LLC. |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2015-10-27 |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/27713]  |
| 专题 | 化学研究所_分子反应动力学实验室 |
| 作者单位 | Chinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhang, Wen-Jing,Hou, Gao-Lei,Wang, Peng,et al. Microsolvation of sodium acetate in water: Anion photoelectron spectroscopy and ab initio calculations[J]. JOURNAL OF CHEMICAL PHYSICS,2015,143(5). |
| APA | Zhang, Wen-Jing.,Hou, Gao-Lei.,Wang, Peng.,Xu, Hong-Guang.,Feng, Gang.,...&Zheng, Wei-Jun.(2015).Microsolvation of sodium acetate in water: Anion photoelectron spectroscopy and ab initio calculations.JOURNAL OF CHEMICAL PHYSICS,143(5). |
| MLA | Zhang, Wen-Jing,et al."Microsolvation of sodium acetate in water: Anion photoelectron spectroscopy and ab initio calculations".JOURNAL OF CHEMICAL PHYSICS 143.5(2015). |
入库方式： OAI收割
来源：化学研究所
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