| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Dranka, Maciej
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (7/7 displayed)
- 2021Chemoenzymatic enantioselective and stereo-convergent syntheses of lisofylline enantiomers via lipase-catalyzed kinetic resolution and optical inversion approachcitations
- 2021Chemoenzymatic synthesis of enantiomerically enriched diprophylline and xanthinol nicotinatecitations
- 2018Snapshots of the Hydrolysis of Lithium 4,5-Dicyanoimidazolate-Glyme Solvates. Impact of Water Molecules on Aggregation Processes in Lithium-Ion Battery Electrolytescitations
- 2016Understanding of Lithium 4,5-Dicyanoimidazolate-Poly(ethylene oxide) System: Influence of the Architecture of the Solid Phase on the Conductivitycitations
- 2015Compressed Arsenolite As4O6 and Its Helium Clathrate As4O6·2Hecitations
- 2015Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxidecitations
- 2013An insight into coordination ability of dicyanoimidazolato anions toward lithium in presence of acetonitrile. Crystal structures of novel lithium battery electrolyte saltscitations
Places of action
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article
Snapshots of the Hydrolysis of Lithium 4,5-Dicyanoimidazolate-Glyme Solvates. Impact of Water Molecules on Aggregation Processes in Lithium-Ion Battery Electrolytes
Abstract
Despite that 4,5-dicyano-2-(trifluoromethyl)imidazole lithium salt (LiTDI) exhibits several interesting features in aprotic solvents such as glymes or carbonate esters, little is known about its structural rearrangement after exposure to water. Since the LiTDI salt has been verified as an effective moisture scavenger able to suppress degradation of the LiPF6-based electrolyte, comprehensive knowledge of coordination modes in the LiTDI–H2O system, as well as information about the structure of formed hydrates, is desirable. In the present study, we report the impact of water on the LiTDI glyme-based electrolytes investigated by means of the single-crystal X-ray diffraction technique and Raman spectroscopy. We have found that the exposure of lithium 4,5-dicyanoimidazolate–glyme solvates to humid air gives rise to the hydrolysis products arising from stepwise addition of water molecules to the lithium coordination sphere. Several structural motifs have been distinguished as preferred coordination modes in the LiTDI–H2O system. A high number of available ether oxygen donor center water molecules cause dissociation of ionic contact pairs and aggregation of cationic species stabilized by crown ethers. Low O:Li molar ratio leads to the formation of LiTDI–glyme–water solvates and LiTDI hydrates. The air-stable LiTDI trihydrate comprises ionic pairs formed by a lithium cation coordinated to an imidazole nitrogen of TDI. A lithium cation coordinated via nitrile groups and bearing water molecules is a basic motif constituting dimeric species of formula [Li(H2O)2TDI]2 which are present in aggregated [Li(H2O)TDI]n chains making up the structure of a monohydrate. The discovered motifs have been proved to occur in both the solid and melted hydrated systems of LiTDI. They will be helpful for conducting molecular dynamic calculations and for obtaining information how to manipulate the structure of a Li+-solvation sheath in both hydrated and liquid aqueous electrolytes based on heterocyclic anions.