期刊
JOURNAL OF PHYSICAL CHEMISTRY A
卷 114, 期 47, 页码 12506-12512出版社
AMER CHEMICAL SOC
DOI: 10.1021/jp107023b
关键词
-
资金
- Scientific Committee of the University of Rome
In this work we report molecular mechanics and ab intio calculations on the geminal di-imidazolium bis(trifluoromethylsulfonyl)amide ionic liquid in the gas phase We report the likely energetically preferred geometries of the ionic complex and its main features in terms of charge distribution electronic density structure, and energetics We find that the gas phase structure of the ionic complex is quite compact and that the alkyl chain connecting the two imidazolium charged rings is strongly bent in order to maximize their electrostatic interactions with the two anions
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