A new class of ion-ion interaction: Z-bond  

作　　者：Kun Dong Suojiang Zhang Qian Wang 

机构地区：[1]State Key Laboratory of Multiphase Complex Systems [2]Beijing Key Laboratory of Ionic Liquids Clean Process,Institute Process Engineering, Chinese Academy of Sciences

出　　处：《Science China Chemistry》2015年第3期495-500,共6页中国科学（化学英文版）

基　　金：supported by the National Natural Science Foundation of China(21036007);the Fund of State Key Laboratory of Multiphase Complex System,Institute of Process Engineering,Chinese Academy of Sciences(MPCS-2012-A-10)

摘　　要：The hydrogen-bond interactions in ionic liquids have been simply described by the conventional hydrogen-bond model of A–H···B. Coupling with the strong electrostatic force, however, hydrogen bond between the cation and anion shows particular features in the geometric, energetic, electronic, and dynamic aspects, which is inherently different from that of the conventional hydrogen bond. A general model could be expressed as +[A–H···B]-, in which A and B represent heavy atoms and "+" and "–" represent the charges of the cation containing A atom and anion containing B atom, respectively. Because the structure shows a "zig-zag" motif, this coupling interaction is defined here as the Z-bond. The new model could be generally used to describe the interactions in ionic liquids, as well as bio-systems involved in ions, ionic reaction, and ionic materials.The hydrogen-bond interactions in ionic liquids have been simply described by the conventional hydrogen-bond model of A–H···B. Coupling with the strong electrostatic force, however, hydrogen bond between the cation and anion shows particular features in the geometric, energetic, electronic, and dynamic aspects, which is inherently different from that of the conventional hydrogen bond. A general model could be expressed as ^＋[A–H···B]^-, in which A and B represent heavy atoms and ＂＋＂ and ＂–＂ represent the charges of the cation containing A atom and anion containing B atom, respectively. Because the structure shows a ＂zig-zag＂ motif, this coupling interaction is defined here as the Z-bond. The new model could be generally used to describe the interactions in ionic liquids, as well as bio-systems involved in ions, ionic reaction, and ionic materials.

关 键 词：ionic liquid INTERACTION hydrogen bond Z-bond 

分 类 号：O641.3[理学—物理化学]