Dual Ionic and Organic Nature of Ionic Liquids

doi:http://dx.doi.org/10.1038/srep19644

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	Dual Ionic and Organic Nature of Ionic Liquids
	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.
刊名	SCIENTIFIC REPORTS
	2016
卷号	6 页码:19644
DOI	http://dx.doi.org/10.1038/srep19644
英文摘要	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.
学科主题	Science & Technology - Other Topics
语种	英语
内容类型	期刊论文
源URL	[http://ir.itp.ac.cn/handle/311006/21801]
专题	理论物理研究所_理论物理所1978-2010年知识产出
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.
推荐引用方式 GB/T 7714	Shi, R,Wang, YT,Wang, YT . Dual Ionic and Organic Nature of Ionic Liquids[J]. SCIENTIFIC REPORTS,2016,6:19644.
APA	Shi, R,Wang, YT,&Wang, YT .(2016).Dual Ionic and Organic Nature of Ionic Liquids.SCIENTIFIC REPORTS,6,19644.
MLA	Shi, R,et al."Dual Ionic and Organic Nature of Ionic Liquids".SCIENTIFIC REPORTS 6(2016):19644.