ReviewTopics in current chemistry (Cham)2017
Quantum Chemical Modeling of Hydrogen Bonding in Ionic Liquids.
Review in Topics in current chemistry (Cham), 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.
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Who cites it
11 citing papers in PubMed.
- Microwave-assisted synthesis of 2'-hydroxychalcone derivatives in 1-decyl-3-methylimidazolium bromide ionic liquid and its computational study.Royal Society open science · 2025Article
- Implicit Solvent Models and Their Applications in Biophysics.Biomolecules · 2025Review
- Influence of Ionic Liquid Film Thickness and Flow Rate on Macrocyclization Efficiency and Selectivity in Supported Ionic Liquid-Liquid Phase Catalysis.Chemistry (Weinheim an der Bergstrasse, Germany) · 2025Article
- Magnetic Ionic Liquids: Current Achievements and Future Perspectives with a Focus on Computational Approaches.Chemical reviews · 2024Review
- Structural and Electronic Insights into 1-Ethyl-3-Methylimidazolium Bis(fluorosulfonyl)imide Ion Pair Conformers: Ab Initio DFT Study.ACS omega · 2024Article
- Infrared and Terahertz Spectroscopic Investigation of Imidazolium, Pyridinium, and Tetraalkylammonium Tetrafluoroborate Ionic Liquids.ACS omega · 2022Article
- Article
- Structural Features of Triethylammonium Acetate through Molecular Dynamics.Molecules (Basel, Switzerland) · 2020Article
- Ab Initio Molecular Dynamics Study of Phospho-Amino Acid-Based Ionic Liquids: Formation of Zwitterionic Anions in the Presence of Acidic Side Chains.The journal of physical chemistry. B · 2020Article
- Influence of Anion and Cation Structure of Ionic Liquids on Carboxylic Acids Extraction.Frontiers in chemistry · 2019Article
- Ionic liquids: a brief history.Biophysical reviews · 2018Review
Corrections and comments
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Authors and funding
1 author.
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Abstract
Hydrogen bonding (H-bonding) is an important and very general phenomenon. H-bonding is part of the basis of life in DNA, key in controlling the properties of water and ice, and critical to modern applications such as crystal engineering, catalysis applications, pharmaceutical and agrochemical development. H-bonding also plays a significant role for many ionic liquids (IL), determining the secondary structuring and affecting key physical parameters. ILs exhibit a particularly diverse and wide range of traditional as well as non-standard forms of H-bonding, in particular the doubly ionic H-bond is important. Understanding the fundamental nature of the H-bonds that form within ILs is critical, and one way of accessing this information, that cannot be recovered by any other computational method, is through quantum chemical electronic structure calculations. However, an appropriate method and basis set must be employed, and a robust procedure for determining key structures is essential. Modern generalised solvation models have recently been extended to ILs, bringing both advantages and disadvantages. QC can provide a range of information on geometry, IR and Raman spectra, NMR spectra and at a more fundamental level through analysis of the electronic structure.
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