2017
DOI: 10.1002/chem.201703117
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Understanding Carbon Dioxide Solubility in Ionic Liquids by Exploring the Link with Liquid Clathrate Formation

Abstract: The solubilities of the quadrupolar molecules benzene and CO in various ionic liquids (ILs) are compared in order to determine the connection between aromatic liquid clathrate formation and CO dissolution in ILs. It was found that both CO Henry's law constants and benzene solubility are remarkably well correlated with each other and with IL molar volume, suggesting both phenomena depend more on the strength of interionic interactions between the ions of an IL rather than the identity of either ion. However, IL… Show more

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Cited by 15 publications
(14 citation statements)
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References 54 publications
(54 reference statements)
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“…This fact strengthens the hypothesis that gas/IL interactions should provide an additional stabilization in order to rearrange the ionic liquid structure. [38] This chemoinformatic À ] + CO 2 ). Red comprises more electronegative negatively charged atoms, blue represents less electronegative positively charged atoms approach permits a fast, valuable estimation of gas solubility in IL's and, based on the new codification method, provide an initial approach on the most relevant inter-component atomic interactions ion/gas responsible for a certain solubility profile.…”
Section: Resultsmentioning
confidence: 99%
See 1 more Smart Citation
“…This fact strengthens the hypothesis that gas/IL interactions should provide an additional stabilization in order to rearrange the ionic liquid structure. [38] This chemoinformatic À ] + CO 2 ). Red comprises more electronegative negatively charged atoms, blue represents less electronegative positively charged atoms approach permits a fast, valuable estimation of gas solubility in IL's and, based on the new codification method, provide an initial approach on the most relevant inter-component atomic interactions ion/gas responsible for a certain solubility profile.…”
Section: Resultsmentioning
confidence: 99%
“…It is important to highlight that the solubility of gases in ILs is not simply an occupation of free space within an ionic liquid, [5,37,38] otherwise different gases would present similar solubilities, which is not the case. Carbon dioxide and sulphur dioxide usually are highly soluble in ILs, differently O 2 , N 2 and CH 4 are not.…”
Section: Resultsmentioning
confidence: 99%
“…Although the issue requires more detailed studies, it appears that charge delocalization and low electric polarizability promoted by fluorination have respective impacts on electrostatic interactions and dispersion forces that influence CO 2 absorption. Prior to the study described above, numerous experiments have been conducted to elucidate the CO 2 absorption states in ILs [7][8][9][10][11][12] . In this effort, using the soft crystal 1 as a surrogate, we were able to visualize interactions that occur between the NTf 2anion component of ILs and CO 2 .…”
Section: Discussionmentioning
confidence: 99%
“…This phenomenon is exemplified by the bis(trifluoromethylsulfonyl)imide (NTf 2 -) anion, which is one of the most interesting building blocks for the construction of ILs with high CO 2 absorption propensities 6 . Although several theories have been advanced to explain the physical interactions that take place between NTf 2 --containing ILs and CO 2 , some of which have been tested experimentally and by using simulations [7][8][9][10][11][12] , a full understanding of the interactions has not yet been gained. In particular, based on the current state of knowledge, it is still not possible to ascertain whether oxygen or fluorine is the key CO 2 absorption site in NTf 2 -, and to determine the nature of primary interactions occurring between this anion and this gas.…”
mentioning
confidence: 99%
“…(1) Concerning non-aqueous electrolytes, ionic liquids (ILs) may represent a greener alternative to organic solvents, for CO 2 solubilization and for stabilization of charged reduction intermediates. [20][21][22][23][24] However, due to cost issues, the scale-up of electrochemical devices using IL-based electrolytes is not straightforward. In this respect, the recent application of deep eutectic solvents (DESs) for CO 2 RR offers a promising perspective.…”
Section: Introductionmentioning
confidence: 99%