6533b859fe1ef96bd12b77b8
RESEARCH PRODUCT
Multiple points of view of heteronuclear NOE: long range vs short range contacts in pyrrolidinium based ionic liquids in the presence of Li salts.
Serena IndelicatoStefano PasseriniGiovanni Battista AppetecchiFranca CastiglioneWalter PanzeriAndrea Melesubject
Materials Chemistry2506 Metals and AlloysAtomic and Molecular Physics and OpticAnalytical chemistryCondensed Matter PhysicIonic liquidLithiumchemistry.chemical_compoundMaterials ChemistryPhysical and Theoretical ChemistryImideHeteronuclear NOESpectroscopyIntermolecular NOE;Fluorosulfonylimide;Ionic liquids;NMR;Trifluoromethanesulfonimide;Pyrrolidinium;Lithium;Heteronuclear NOELarmor precessionFluorosulfonylimideIntermolecular NOEElectronic Optical and Magnetic MaterialIntermolecular forceHeteronuclear NOE NMR Ionic liquids Pyrrolidinium Fluorosulfonylimide Trifluoromethanesulfonimide Lithium Intermolecular NOENuclear magnetic resonance spectroscopyCondensed Matter PhysicsAtomic and Molecular Physics and OpticsNMRElectronic Optical and Magnetic MaterialsIonic liquidsCrystallographyTrifluoromethanesulfonimideSolvation shellHeteronuclear moleculechemistryIonic liquidPolarPyrrolidiniumdescription
The nuclear Overhauser enhancement (NOE) is a powerful tool of NMR spectroscopy extensively used to gain structural information in ionic liquids (ILs). A general model for the distance dependence of intermolecular NOE in ILs was recently proposed showing that NOE spots beyond the first solvation shell and accounts for long-range effects. This conclusion prompted for a deep rethinking of the NOE data interpretation in ILs. In this paper we present an extensive and quantitative study of N-propyl-N-methyl pyrrolidinium bis(trifluoromethanesulfonyl)imide (PYR13TFSI), the homologue with bis(fluorosulfonyl)imide (PYR13FSI), and their mixtures with LiTFSI based on 1H-19F and 1H-7LiNOE correlation experiments (HOESY). The former is mainly tuned on long-range interactions, the latter on short-range ones, due to the small and large Larmor frequency differences of the involved nuclei. The collected data are discussed in two different way: long-range 1H-19FNOEs spot on the polar/apolar domains within the ILs, whereas short-range (e.g. regarding the first coordination shell) 1H-7LiNOEs describe the contacts between first neighbors, with interesting correlation with the distances' statistics derived by crystallographic data of related systems.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2015-10-01 |