Abstract
Hydrogen bond is a key factor in the determination of structures and properties of room-temperature ionic liquids. Connections of these hydrogen bonds form a network. In this work, we analyzed the hydrogen bond network of 1-alkyl-3-methylimidazolium ionic liquids using network theory. A two-dimensional view of the hydrogen bond network has been generated, the connection pattern shown that the average length of line shape connection is 2.44 to 2.77 for six 1-alkyl-3-methylimidazolium ionic liquids, and the connection patterns are different for short and long alkyl side chain length. The degree of each ion was calculated and analyzed. The nodes with zero degree were adopted to detect the boundary of the clusters in the ionic liquids, which have no hydrogen bond connected with neighbor ions. This work indicates that the network analysis method is useful for understanding and predicting the structure and function of RTILs.
Published Version
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More From: Journal of Theoretical and Computational Chemistry
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