An ab initio Study of the Structure and Energetics of Hydrogen Bonding in Ionic Liquids

Unlike typical hydrogen-bonded networks such as water, hydrogen bonded ionic liquids display some unusual characteristics due to the complex interplay of electrostatics, polarization, and dispersion forces in the bulk. Protic ionic liquids in particular contain close-to traditional linear hydrogen b...

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Bibliographic Details

Published in:	Frontiers in Chemistry
Main Authors:	Kaycee Low, Samuel Y. S. Tan, Ekaterina I. Izgorodina
Format:	Article
Language:	English
Published:	Frontiers Media S.A. 2019-04-01
Subjects:	ionic liquids hydrogen bonding ab initio protic ionic liquids interaction energy electrostatics
Online Access:	https://www.frontiersin.org/article/10.3389/fchem.2019.00208/full