Dual Ionic and Organic Nature of Ionic Liquids.
Dual Ionic and Organic Nature of Ionic Liquids.
复制标题
离子液体的双离子和有机性质
DOI：
10.1038/srep19644
复制
发表时间：
2016-01-19
影响因子：
4.6
通讯作者：
Wang Y
中科院分区：
文献类型：
--
作者：
Shi R;Wang Y
离子液体继承了无机盐和有机溶剂的优点，表现出许多优异的性质，使其成为未来的绿色溶剂。虽然人们普遍认为ILS的独特性质源于其离子和有机的双重性质，但其微观物理来源仍然模糊。在这项工作中，通过比较七种典型液体--熔融无机盐、四种离子液体、一种强极性有机溶剂和一种弱极性有机溶剂的分子动力学模拟得到的离子/分子笼状结构，我们发现笼状能谱的深度表征了离子液体的离子性质，而其最小值的斜率和曲率决定了离子液体的有机性质。这一发现促进了我们对ILS的理解，从而有助于ILS的有效利用以及新型功能化ILS的系统设计。
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.