Solvation of Carbon Dioxide in [C4mim][BF4] and [C4mim][PF6] Ionic Liquids Revealed by High-Pressure NMR Spectroscopy

Where is CO2? The intermolecular interactions of [C4mim]BF4 and [C4mim]PF6 ionic liquids and CO2 have been determined by high‐pressure NMR spectroscopy in combination with molecular dynamic simulations. The anion and the cation are both engaged in interactions with CO2. A detailed picture of CO2 sol...

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Bibliographic Details
Published in:Angewandte Chemie International Edition 2013-12, Vol.52 (49), p.13024-13027
Main Authors: Corvo, Marta C., Sardinha, João, Menezes, Sonia C., Einloft, Sandra, Seferin, Marcus, Dupont, Jairton, Casimiro, Teresa, Cabrita, Eurico J.
Format: Article
Language:English
Subjects:
CO2 sequestration
ionic liquids
molecular dynamics
NMR spectroscopy
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Summary:Where is CO2? The intermolecular interactions of [C4mim]BF4 and [C4mim]PF6 ionic liquids and CO2 have been determined by high‐pressure NMR spectroscopy in combination with molecular dynamic simulations. The anion and the cation are both engaged in interactions with CO2. A detailed picture of CO2 solvation in these ILs is provided. CO2 solubility is essentially determined by the microscopic structure of the IL.
ISSN:1433-7851
1521-3773
DOI:10.1002/anie.201305630