Clusters of Hydroxyl-Functionalized Cations Stabilized by Cooperative Hydrogen Bonds: The Role of Polarizability and Alkyl Chain Length

We explore quantum chemical calculations for studying clusters of hydroxyl-functionalized cations kinetically stabilized by hydrogen bonding despite strongly repulsive electrostatic forces. In a comprehensive study, we calculate clusters of ammonium, piperidinium, pyrrolidinium, imidazolium, pyridin...

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Bibliographic Details

Published in:	Molecules
Main Authors:	Jule K. Philipp, Ralf Ludwig
Format:	Article
Language:	English
Published:	MDPI AG 2020-10-01
Subjects:	like charge attraction ionic liquids hydrogen bonding spectroscopic descriptors DFT calculations
Online Access:	https://www.mdpi.com/1420-3049/25/21/4972