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

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
Main Authors: Kaycee Low, Samuel Y. S. Tan, Ekaterina I. Izgorodina
Format: Article
Language:English
Published: Frontiers Media S.A. 2019-04-01
Series:Frontiers in Chemistry
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

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