Comparison Studies on Sub-Nanometer-Sized Ion Clusters in Aqueous Solutions: Vibrational Energy Transfers, MD Simulations, and Neutron Scattering
文献类型：期刊论文
| 作者 | Shen, Yuneng1,3; Wu, Tianmin4; Jiang, Bo1; Deng, Ganghua1; Li, Jiebo2; Chen, Hailong2; Guo, Xunmin2; Ge, Chuanqi1,5; Chen, Yajin1; Hong, Jieya1 |
| 刊名 | journal of physical chemistry b
 |
| 出版日期 | 2015-07-30 |
| 卷号 | 119期号:30页码:9893-9904 |
| 英文摘要 | in this work, md simulations with two different force fields, vibrational energy relaxation and resonant energy transfer experiments, and neutron scattering data are used to investigate ion pairing and clustering in a series of gdmscn aqueous solutions. the md simulations reproduce the major features of neutron scattering experimental data very well. although no information about ion pairing or clustering can be obtained from the neutron scattering data, md calculations clearly demonstrate that substantial amounts of ion pairs and small ion clusters (subnanometers to a few nanometers) do exist in the solutions of concentrations 0.5 m*, 3 m*, and 5 m* (m* denotes mole of gdmscn per. 55.55 mole of water). vibrational relaxation experiments suggest that significant amounts of ion pairs form in the solutions. experiments measuring the resonant energy transfers among the thiocyanate anions in the solutions suggest that the ions form clusters and in the clusters the average anion distance is 5.6 angstrom (5.4 angstrom) in the 3 m* (5 m*) gdm(-d)scn/d2o solution. |
| WOS标题词 | science & technology ; physical sciences |
| 类目[WOS] | chemistry, physical |
| 研究领域[WOS] | chemistry |
| 关键词[WOS] | particle mesh ewald ; electrolyte-solutions ; molecular-dynamics ; raman-spectroscopy ; force-field ; hydration ; liquid ; thiocyanate ; nucleation ; energetics |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000359031400042 |
| 公开日期 | 2016-05-09 |
| 源URL | [http://cas-ir.dicp.ac.cn/handle/321008/146426]  |
| 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 |
| 作者单位 | 1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Liaoning, Peoples R China 2.Rice Univ, Dept Chem, Houston, TX 77005 USA 3.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 4.Univ Sci & Technol China, Dept Chem Phys, Hefei 230026, Peoples R China 5.Liaoning Normal Univ, Sch Phys & Elect Technol, Dalian 116029, Peoples R China |
| 推荐引用方式 GB/T 7714 | Shen, Yuneng,Wu, Tianmin,Jiang, Bo,et al. Comparison Studies on Sub-Nanometer-Sized Ion Clusters in Aqueous Solutions: Vibrational Energy Transfers, MD Simulations, and Neutron Scattering[J]. journal of physical chemistry b,2015,119(30):9893-9904. |
| APA | Shen, Yuneng.,Wu, Tianmin.,Jiang, Bo.,Deng, Ganghua.,Li, Jiebo.,...&Zheng, Junrong.(2015).Comparison Studies on Sub-Nanometer-Sized Ion Clusters in Aqueous Solutions: Vibrational Energy Transfers, MD Simulations, and Neutron Scattering.journal of physical chemistry b,119(30),9893-9904. |
| MLA | Shen, Yuneng,et al."Comparison Studies on Sub-Nanometer-Sized Ion Clusters in Aqueous Solutions: Vibrational Energy Transfers, MD Simulations, and Neutron Scattering".journal of physical chemistry b 119.30(2015):9893-9904. |
入库方式： OAI收割
来源：大连化学物理研究所
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