Frustrated Lewis pairs in ionic liquids and molecular solvents – a neutron scattering and NMR study of encounter complexes

Lucy C. Brown, James M. Hogg, Mark Gilmore, Leila Moura, Silvia Imberti, Sabrina Gärtner, H. Q. Nimal Gunaratne, Ruairi J. O'Donnell, Nancy Artioli, John D. Holbrey, Malgorzata Swadzba-Kwasny

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Abstract

The presence of the weakly-associated encounter complex in the model frustrated Lewis pair solution (FLP): tris(tert-butyl)phosphine (P(tBu)3) and tris(pentafluorophenyl)borane (BCF) in benzene, was confirmed via P···B correlation analysis from neutron scattering data. On average, ca. 5% of dissolved FLP components were in the associated state. NMR spectra of the FLP in benzene gave no evidence of such association, in agreement with earlier reports and the transient nature of the encounter complex. In contrast, the corresponding FLP solution in the ionic liquid, 1-decyl-3-methylimidazolium bistriflamide, [C10mim][NTf2], generated NMR signals that can be attributed to formation of encounter complexes involving over 20% of the dissolved species. The low diffusivity characteristics of ionic liquids is suggested to enhance high populations of encounter complex. The FLP in the ionic liquid solution retained its ability to split hydrogen.
Original languageEnglish
Pages (from-to)8689-8692
JournalChemical Communications
Volume54
Early online date18 Jun 2018
DOIs
Publication statusEarly online date - 18 Jun 2018

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Ionic Liquids
Neutron scattering
Ionic liquids
Nuclear magnetic resonance
phosphine
Benzene
Hydrogen

Cite this

@article{1c08bf6ae1ae4455846176359187e64d,
title = "Frustrated Lewis pairs in ionic liquids and molecular solvents – a neutron scattering and NMR study of encounter complexes",
abstract = "The presence of the weakly-associated encounter complex in the model frustrated Lewis pair solution (FLP): tris(tert-butyl)phosphine (P(tBu)3) and tris(pentafluorophenyl)borane (BCF) in benzene, was confirmed via P···B correlation analysis from neutron scattering data. On average, ca. 5{\%} of dissolved FLP components were in the associated state. NMR spectra of the FLP in benzene gave no evidence of such association, in agreement with earlier reports and the transient nature of the encounter complex. In contrast, the corresponding FLP solution in the ionic liquid, 1-decyl-3-methylimidazolium bistriflamide, [C10mim][NTf2], generated NMR signals that can be attributed to formation of encounter complexes involving over 20{\%} of the dissolved species. The low diffusivity characteristics of ionic liquids is suggested to enhance high populations of encounter complex. The FLP in the ionic liquid solution retained its ability to split hydrogen.",
author = "Brown, {Lucy C.} and Hogg, {James M.} and Mark Gilmore and Leila Moura and Silvia Imberti and Sabrina G{\"a}rtner and Gunaratne, {H. Q. Nimal} and O'Donnell, {Ruairi J.} and Nancy Artioli and Holbrey, {John D.} and Malgorzata Swadzba-Kwasny",
year = "2018",
month = "6",
day = "18",
doi = "10.1039/C8CC03794A",
language = "English",
volume = "54",
pages = "8689--8692",
journal = "Chemical Communications",
issn = "1359-7345",
publisher = "Royal Society of Chemistry",

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TY - JOUR

T1 - Frustrated Lewis pairs in ionic liquids and molecular solvents – a neutron scattering and NMR study of encounter complexes

AU - Brown, Lucy C.

AU - Hogg, James M.

AU - Gilmore, Mark

AU - Moura, Leila

AU - Imberti, Silvia

AU - Gärtner, Sabrina

AU - Gunaratne, H. Q. Nimal

AU - O'Donnell, Ruairi J.

AU - Artioli, Nancy

AU - Holbrey, John D.

AU - Swadzba-Kwasny, Malgorzata

PY - 2018/6/18

Y1 - 2018/6/18

N2 - The presence of the weakly-associated encounter complex in the model frustrated Lewis pair solution (FLP): tris(tert-butyl)phosphine (P(tBu)3) and tris(pentafluorophenyl)borane (BCF) in benzene, was confirmed via P···B correlation analysis from neutron scattering data. On average, ca. 5% of dissolved FLP components were in the associated state. NMR spectra of the FLP in benzene gave no evidence of such association, in agreement with earlier reports and the transient nature of the encounter complex. In contrast, the corresponding FLP solution in the ionic liquid, 1-decyl-3-methylimidazolium bistriflamide, [C10mim][NTf2], generated NMR signals that can be attributed to formation of encounter complexes involving over 20% of the dissolved species. The low diffusivity characteristics of ionic liquids is suggested to enhance high populations of encounter complex. The FLP in the ionic liquid solution retained its ability to split hydrogen.

AB - The presence of the weakly-associated encounter complex in the model frustrated Lewis pair solution (FLP): tris(tert-butyl)phosphine (P(tBu)3) and tris(pentafluorophenyl)borane (BCF) in benzene, was confirmed via P···B correlation analysis from neutron scattering data. On average, ca. 5% of dissolved FLP components were in the associated state. NMR spectra of the FLP in benzene gave no evidence of such association, in agreement with earlier reports and the transient nature of the encounter complex. In contrast, the corresponding FLP solution in the ionic liquid, 1-decyl-3-methylimidazolium bistriflamide, [C10mim][NTf2], generated NMR signals that can be attributed to formation of encounter complexes involving over 20% of the dissolved species. The low diffusivity characteristics of ionic liquids is suggested to enhance high populations of encounter complex. The FLP in the ionic liquid solution retained its ability to split hydrogen.

U2 - 10.1039/C8CC03794A

DO - 10.1039/C8CC03794A

M3 - Article

VL - 54

SP - 8689

EP - 8692

JO - Chemical Communications

JF - Chemical Communications

SN - 1359-7345

ER -