期刊
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
卷 138, 期 32, 页码 10076-10079出版社
AMER CHEMICAL SOC
DOI: 10.1021/jacs.6b05174
关键词
-
资金
- Russian Foundation for Basic Research [14-29-04039]
- Russian Science Foundation [14-13-00884]
- Russian Science Foundation [14-13-00884] Funding Source: Russian Science Foundation
Volume-based prediction of melting points and other properties of ionic liquids (ILs) relies on empirical relations with volumes of ions in these low melting organic. salts. Here we report an accurate way to ionic volumes by Bader's partitioning of electron densities from X-ray diffraction obtained via a simple database approach. For a series of 1-tetradecyl-3-methylimidazolium salts, the volumes of different anions are found to correlate linearly with melting points; larger anions giving lower melting ILs. The volume-based concept is transferred to ionic liquid crystals (ILs that adopt: liquid crystalline mesophases, ILCs) for predicting the domain of their existence from the knowledge of their constituents. For 1alkyl-3-methylimidazolium ILCs, linear correlations of ionic volumes with the occurrence of LC mesophase and its stability are revealed, thus paving the way to rational design of ILCs by combining suitably sized ions.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据