High throughput study of ionic liquids in controlled environments with FTIR spectroscopic imaging

Andrew Chan; Sergei G.  Kazarian; Anton Shalygin; Oleg Martyanov; Tom Welton

doi:10.1016/j.molliq.2021.116412

High throughput study of ionic liquids in controlled environments with FTIR spectroscopic imaging  

Andrew Chan, Sergei G. Kazarian^*, Anton Shalygin, Oleg Martyanov, Tom Welton

^*Corresponding author for this work

Institute of Pharmaceutical Science

Imperial College London

Research output: Contribution to journal › Article › peer-review

6 Citations (Scopus)

Abstract

In situ characterisation of ionic liquids under a controlled environment has been performed in a high throughput manner using macro ATR-FTIR spectroscopic imaging. 14 different ionic liquids with cations 1-butyl-3-methylimidazolium ([C ₄mim]), 1-butyl-2,3-dimethylimidazolium ([C ₄mmim]) and 1-butyl-3-methylpyrrolidinium ([C ₄C ₁pyrr]) and anions hexafluorophosphate ([PF ₆]), tetrafluoroborate ([BF ₄]), bis(trifluoromethylsulfonyl)imide ([NTf ₂]), perchlorate ([ClO ₄]), trifluoromethanesulfonate ([CF ₃SO ₃]), nitrate ([NO ₃]), methanesulfonate ([CH ₃SO ₃]) and trifluoroacetate ([TA]) were studied. The ionic liquids were deposited onto the measuring surface of the ATR crystal in the corresponding accessory hosted in the FTIR imaging system. Then these samples were exposed to a controlled environment of toluene and water vapour and spectra acquired simultaneously. Changing the structure of the cation head group from [C ₄mim] to [C ₄mmim] or [C ₄C ₁pyrr] only had a small effect on the toluene absorption while increasing the length of the alkyl chain of the cation (e.g. [C ₁₀mim]) has shown a significant increase in toluene absorption. The ionic liquids with the anion [NTf ₂] were found to absorb the highest amount of toluene followed by [CF ₃SO ₃], then [PF ₆], [ClO ₄], [NO ₃] and [TA], and the lowest amount of toluene was absorbed in ionic liquids with [BF ₄] or [CH ₃SO ₃] anions. The amount of water absorbed increases in the order: [C ₄mim][CH ₃SO ₃] > [C ₄mim][TA] > [C ₄mim][NO ₃] > [C ₄mim][CF ₃SO ₃] > [C ₄mim][ClO ₄] ~ [C ₄mim][BF ₄] ~ [C ₄mmim][BF ₄] > [C ₁₀mim][BF ₄] > [C ₄mim][PF ₆] ~ [C ₄mmim][PF ₆] > [C ₄mim][NTf ₂] ~ [C ₄mmim][NTf ₂] ~ [C ₄C ₁pyrr][NTf ₂]. This work has demonstrated that spectroscopic imaging provides a platform for the simultaneous screening of multiple ionic liquids in situ, when under controlled environments.

Original language	English
Article number	116412
Journal	JOURNAL OF MOLECULAR LIQUIDS
Volume	337
DOIs	https://doi.org/10.1016/j.molliq.2021.116412
Publication status	Published - 1 Sept 2021

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@article{824a8a8870d645d3afceba47b25f2a75,

title = "High throughput study of ionic liquids in controlled environments with FTIR spectroscopic imaging  ",

abstract = "In situ characterisation of ionic liquids under a controlled environment has been performed in a high throughput manner using macro ATR-FTIR spectroscopic imaging. 14 different ionic liquids with cations 1-butyl-3-methylimidazolium ([C 4mim]), 1-butyl-2,3-dimethylimidazolium ([C 4mmim]) and 1-butyl-3-methylpyrrolidinium ([C 4C 1pyrr]) and anions hexafluorophosphate ([PF 6]), tetrafluoroborate ([BF 4]), bis(trifluoromethylsulfonyl)imide ([NTf 2]), perchlorate ([ClO 4]), trifluoromethanesulfonate ([CF 3SO 3]), nitrate ([NO 3]), methanesulfonate ([CH 3SO 3]) and trifluoroacetate ([TA]) were studied. The ionic liquids were deposited onto the measuring surface of the ATR crystal in the corresponding accessory hosted in the FTIR imaging system. Then these samples were exposed to a controlled environment of toluene and water vapour and spectra acquired simultaneously. Changing the structure of the cation head group from [C 4mim] to [C 4mmim] or [C 4C 1pyrr] only had a small effect on the toluene absorption while increasing the length of the alkyl chain of the cation (e.g. [C 10mim]) has shown a significant increase in toluene absorption. The ionic liquids with the anion [NTf 2] were found to absorb the highest amount of toluene followed by [CF 3SO 3], then [PF 6], [ClO 4], [NO 3] and [TA], and the lowest amount of toluene was absorbed in ionic liquids with [BF 4] or [CH 3SO 3] anions. The amount of water absorbed increases in the order: [C 4mim][CH 3SO 3] > [C 4mim][TA] > [C 4mim][NO 3] > [C 4mim][CF 3SO 3] > [C 4mim][ClO 4] ~ [C 4mim][BF 4] ~ [C 4mmim][BF 4] > [C 10mim][BF 4] > [C 4mim][PF 6] ~ [C 4mmim][PF 6] > [C 4mim][NTf 2] ~ [C 4mmim][NTf 2] ~ [C 4C 1pyrr][NTf 2]. This work has demonstrated that spectroscopic imaging provides a platform for the simultaneous screening of multiple ionic liquids in situ, when under controlled environments. ",

author = "Andrew Chan and Kazarian, {Sergei G.} and Anton Shalygin and Oleg Martyanov and Tom Welton",

note = "Funding Information: This work was supported by Ministry of Science and Higher Education of the Russian Federation , grant number 075-15-2019-1876 . Publisher Copyright: {\textcopyright} 2021 Elsevier B.V.",

year = "2021",

month = sep,

day = "1",

doi = "10.1016/j.molliq.2021.116412",

language = "English",

volume = "337",

journal = "JOURNAL OF MOLECULAR LIQUIDS",

issn = "0167-7322",

publisher = "Elsevier",

}

TY - JOUR

T1 - High throughput study of ionic liquids in controlled environments with FTIR spectroscopic imaging  

AU - Chan, Andrew

AU - Kazarian, Sergei G.

AU - Shalygin, Anton

AU - Martyanov, Oleg

AU - Welton, Tom

PY - 2021/9/1

Y1 - 2021/9/1

N2 - In situ characterisation of ionic liquids under a controlled environment has been performed in a high throughput manner using macro ATR-FTIR spectroscopic imaging. 14 different ionic liquids with cations 1-butyl-3-methylimidazolium ([C 4mim]), 1-butyl-2,3-dimethylimidazolium ([C 4mmim]) and 1-butyl-3-methylpyrrolidinium ([C 4C 1pyrr]) and anions hexafluorophosphate ([PF 6]), tetrafluoroborate ([BF 4]), bis(trifluoromethylsulfonyl)imide ([NTf 2]), perchlorate ([ClO 4]), trifluoromethanesulfonate ([CF 3SO 3]), nitrate ([NO 3]), methanesulfonate ([CH 3SO 3]) and trifluoroacetate ([TA]) were studied. The ionic liquids were deposited onto the measuring surface of the ATR crystal in the corresponding accessory hosted in the FTIR imaging system. Then these samples were exposed to a controlled environment of toluene and water vapour and spectra acquired simultaneously. Changing the structure of the cation head group from [C 4mim] to [C 4mmim] or [C 4C 1pyrr] only had a small effect on the toluene absorption while increasing the length of the alkyl chain of the cation (e.g. [C 10mim]) has shown a significant increase in toluene absorption. The ionic liquids with the anion [NTf 2] were found to absorb the highest amount of toluene followed by [CF 3SO 3], then [PF 6], [ClO 4], [NO 3] and [TA], and the lowest amount of toluene was absorbed in ionic liquids with [BF 4] or [CH 3SO 3] anions. The amount of water absorbed increases in the order: [C 4mim][CH 3SO 3] > [C 4mim][TA] > [C 4mim][NO 3] > [C 4mim][CF 3SO 3] > [C 4mim][ClO 4] ~ [C 4mim][BF 4] ~ [C 4mmim][BF 4] > [C 10mim][BF 4] > [C 4mim][PF 6] ~ [C 4mmim][PF 6] > [C 4mim][NTf 2] ~ [C 4mmim][NTf 2] ~ [C 4C 1pyrr][NTf 2]. This work has demonstrated that spectroscopic imaging provides a platform for the simultaneous screening of multiple ionic liquids in situ, when under controlled environments.

AB - In situ characterisation of ionic liquids under a controlled environment has been performed in a high throughput manner using macro ATR-FTIR spectroscopic imaging. 14 different ionic liquids with cations 1-butyl-3-methylimidazolium ([C 4mim]), 1-butyl-2,3-dimethylimidazolium ([C 4mmim]) and 1-butyl-3-methylpyrrolidinium ([C 4C 1pyrr]) and anions hexafluorophosphate ([PF 6]), tetrafluoroborate ([BF 4]), bis(trifluoromethylsulfonyl)imide ([NTf 2]), perchlorate ([ClO 4]), trifluoromethanesulfonate ([CF 3SO 3]), nitrate ([NO 3]), methanesulfonate ([CH 3SO 3]) and trifluoroacetate ([TA]) were studied. The ionic liquids were deposited onto the measuring surface of the ATR crystal in the corresponding accessory hosted in the FTIR imaging system. Then these samples were exposed to a controlled environment of toluene and water vapour and spectra acquired simultaneously. Changing the structure of the cation head group from [C 4mim] to [C 4mmim] or [C 4C 1pyrr] only had a small effect on the toluene absorption while increasing the length of the alkyl chain of the cation (e.g. [C 10mim]) has shown a significant increase in toluene absorption. The ionic liquids with the anion [NTf 2] were found to absorb the highest amount of toluene followed by [CF 3SO 3], then [PF 6], [ClO 4], [NO 3] and [TA], and the lowest amount of toluene was absorbed in ionic liquids with [BF 4] or [CH 3SO 3] anions. The amount of water absorbed increases in the order: [C 4mim][CH 3SO 3] > [C 4mim][TA] > [C 4mim][NO 3] > [C 4mim][CF 3SO 3] > [C 4mim][ClO 4] ~ [C 4mim][BF 4] ~ [C 4mmim][BF 4] > [C 10mim][BF 4] > [C 4mim][PF 6] ~ [C 4mmim][PF 6] > [C 4mim][NTf 2] ~ [C 4mmim][NTf 2] ~ [C 4C 1pyrr][NTf 2]. This work has demonstrated that spectroscopic imaging provides a platform for the simultaneous screening of multiple ionic liquids in situ, when under controlled environments.

UR - http://www.scopus.com/inward/record.url?scp=85106210811&partnerID=8YFLogxK

U2 - 10.1016/j.molliq.2021.116412

DO - 10.1016/j.molliq.2021.116412

M3 - Article

SN - 0167-7322

VL - 337

JO - JOURNAL OF MOLECULAR LIQUIDS

JF - JOURNAL OF MOLECULAR LIQUIDS

M1 - 116412

ER -

High throughput study of ionic liquids in controlled environments with FTIR spectroscopic imaging

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