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 Indelicato, Franca Castiglione, Walter Panzeri, Giovanni Battista Appetecchi, Stefano Passerini, Andrea Mele

Risultato della ricerca: Article

11 Citazioni (Scopus)

Abstract

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 (PYR<inf>13</inf>TFSI), the homologue with bis(fluorosulfonyl)imide (PYR<inf>13</inf>FSI), and their mixtures with LiTFSI based on <sup>1</sup>H-<sup>19</sup>F and <sup>1</sup>H-<sup>7</sup>LiNOE 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 <sup>1</sup>H-<sup>19</sup>FNOEs spot on the polar/apolar domains within the ILs, whereas short-range (e.g. regarding the first coordination shell) <sup>1</sup>H-<sup>7</sup>LiNOEs describe the contacts between first neighbors, with interesting correlation with the distances' statistics derived by crystallographic data of related systems.
Lingua originaleEnglish
pagine (da-a)215-222
Numero di pagine8
RivistaJournal of Molecular Liquids
Volume210
Stato di pubblicazionePublished - 2015

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Ionic Liquids
Ionic liquids
Contacts (fluid mechanics)
Salts
salts
augmentation
imides
liquids
Imides
Solvation
Nuclear magnetic resonance spectroscopy
solvation
Statistics
statistics
nuclear magnetic resonance
nuclei
spectroscopy
Experiments
interactions

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Spectroscopy
  • Physical and Theoretical Chemistry
  • Materials Chemistry

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Multiple points of view of heteronuclear NOE: Long range vs short range contacts in pyrrolidinium based ionic liquids in the presence of Li salts. / Indelicato, Serena; Castiglione, Franca; Panzeri, Walter; Appetecchi, Giovanni Battista; Passerini, Stefano; Mele, Andrea.

In: Journal of Molecular Liquids, Vol. 210, 2015, pag. 215-222.

Risultato della ricerca: Article

Indelicato, Serena ; Castiglione, Franca ; Panzeri, Walter ; Appetecchi, Giovanni Battista ; Passerini, Stefano ; Mele, Andrea. / Multiple points of view of heteronuclear NOE: Long range vs short range contacts in pyrrolidinium based ionic liquids in the presence of Li salts. In: Journal of Molecular Liquids. 2015 ; Vol. 210. pagg. 215-222.
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abstract = "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.",
keywords = "Fluorosulfonylimide; Heteronuclear NOE; Intermolecular NOE; Ionic liquids; Lithium; NMR; Pyrrolidinium; Trifluoromethanesulfonimide; Electronic, Optical and Magnetic Materials; Atomic and Molecular Physics, and Optics; Condensed Matter Physics; Spectroscopy; Physical and Theoretical Chemistry; Materials Chemistry2506 Metals and Alloys",
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year = "2015",
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T1 - Multiple points of view of heteronuclear NOE: Long range vs short range contacts in pyrrolidinium based ionic liquids in the presence of Li salts

AU - Indelicato, Serena

AU - Castiglione, Franca

AU - Panzeri, Walter

AU - Appetecchi, Giovanni Battista

AU - Passerini, Stefano

AU - Mele, Andrea

PY - 2015

Y1 - 2015

N2 - 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.

AB - 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.

KW - Fluorosulfonylimide; Heteronuclear NOE; Intermolecular NOE; Ionic liquids; Lithium; NMR; Pyrrolidinium; Trifluoromethanesulfonimide; Electronic

KW - Optical and Magnetic Materials; Atomic and Molecular Physics

KW - and Optics; Condensed Matter Physics; Spectroscopy; Physical and Theoretical Chemistry; Materials Chemistry2506 Metals and Alloys

UR - http://hdl.handle.net/10447/243619

M3 - Article

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EP - 222

JO - Journal of Molecular Liquids

JF - Journal of Molecular Liquids

SN - 0167-7322

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