Computational NMR Spectroscopy of Ionic Liquids: [C<sub>4</sub>C<sub>1</sub>im]Cl/Water Mixtures

Computational NMR Spectroscopy of Ionic Liquids: [C<sub>4</sub>C<sub>1</sub>im]Cl/Water Mixtures

In this work, I have analyzed the structure of binary mixtures of 1-butyl-3-methylimidazolium chloride ionic liquid, [C<sub>4</sub>C<sub>1</sub>im]Cl, and water, using computational NMR spectroscopy. The structure of the complex fluid phase, where the ionic and hydrophobic na...

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Bibliographic Details
Main Author: Giacomo Saielli
Format: Article
Language:English
Published: MDPI AG 2020-04-01
Series:Molecules
Subjects:
ionic liquids
mixtures
NMR
molecular dynamics simulations
density functional theory
Online Access:https://www.mdpi.com/1420-3049/25/9/2085

Internet

https://www.mdpi.com/1420-3049/25/9/2085

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