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Shi, R; Wang, YT; Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, 55 East Zhongguancun Rd,POB 2735, Beijing 100190, Peoples R China.
Dual Ionic and Organic Nature of Ionic Liquids
发表期刊SCIENTIFIC REPORTS
语种英语
摘要Inherited the advantages of inorganic salts and organic solvents, ionic liquids (ILs) exhibit many superior properties allowing them promising green solvents for the future. Although it has been widely acknowledged that the unique features of ILs originate from their dual ionic and organic nature, its microscopic physical origin still remains blurry. In this work, by comparing the ion/molecule cage structures obtained from molecular dynamics simulations for seven prototypic liquids-a molten inorganic salt, four ILs, a strongly polar organic solvent, and a weakly polar organic solvent, we have revealed that the depth of the cage energy landscape characterizes the ionic nature of ILs, whereas the slope and curvature of its mimimum determine the organic nature of ILs. This finding advances our understanding of ILs and thus will help their efficient utilization as well as the systematic design of novel functionalized ILs.
2016
卷号6期号:6页码:19644
合作性质国内
学科领域Science & Technology - Other Topics
DOIhttp://dx.doi.org/10.1038/srep19644
收录类别SCI
项目资助者National Basic Research Program of China (973 program) [2013CB932804] ; National Basic Research Program of China (973 program) [2013CB932804] ; National Basic Research Program of China (973 program) [2013CB932804] ; National Basic Research Program of China (973 program) [2013CB932804] ; National Natural Science Foundation of China [11274319, 11421063] ; National Natural Science Foundation of China [11274319, 11421063] ; National Natural Science Foundation of China [11274319, 11421063] ; National Natural Science Foundation of China [11274319, 11421063]
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文献类型期刊论文
条目标识符http://ir.itp.ac.cn/handle/311006/21244
专题计算平台成果
通讯作者Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, 55 East Zhongguancun Rd,POB 2735, Beijing 100190, Peoples R China.
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Shi, R,Wang, YT,Wang, YT . Dual Ionic and Organic Nature of Ionic Liquids[J]. SCIENTIFIC REPORTS,2016,6(6):19644.
APA Shi, R,Wang, YT,&Wang, YT .(2016).Dual Ionic and Organic Nature of Ionic Liquids.SCIENTIFIC REPORTS,6(6),19644.
MLA Shi, R,et al."Dual Ionic and Organic Nature of Ionic Liquids".SCIENTIFIC REPORTS 6.6(2016):19644.
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