Microscopic structural and dynamic features in triphilic room temperature ionic liquids

Fabrizio Lo Celso, Giovanni B. Appetecchi, Elisabetta Simonetti, Man Zhao, Ed Castner, Uwe Keiderling, Lorenzo Gontrani, Alessandro Triolo, Olga Russina

Research output: Contribution to journalArticle

Abstract

Here we report a thorough investigation of the microscopic and mesoscopic structural organization in a series of triphilic fluorinated room temperature ionic liquids, namely [1-alkyl,3-methylimidazolium][(trifluoromethanesulfonyl)(nonafluorobutylsulfonyl)imide], with alkyl=ethyl, butyl, octyl ([Cnmim][IM14], n=2, 4, 8), based on the synergic exploitation of X-ray and Neutron Scattering and Molecular Dynamics simulations. This study reveals the strong complementarity between X-ray/neutron scattering in detecting the complex segregated morphology in these systems at mesoscopic spatial scales. Use of MD simulations delivering very good agreement with experimental data allows gaining a robust understanding of the segregated morphology. The structural scenario is completed with determination of dynamic properties accessing the diffusive behaviour and a relaxation map is provided for [C2mim][IM14] and [C8mim][IM14], highlighting their natures as fragile glass formers.

Original languageEnglish
Article number285
JournalFrontiers in Chemistry
Volume7
Issue numberAPR
DOIs
Publication statusPublished - Jan 1 2019

Fingerprint

Ionic Liquids
Neutron scattering
X ray scattering
Imides
Molecular dynamics
Glass
Temperature
Computer simulation

Keywords

  • Fluorous tail
  • Ionic Liquid
  • Molecular dynamics (MD)
  • Neutron scattering
  • Triphilic

ASJC Scopus subject areas

  • Chemistry(all)

Cite this

Lo Celso, F., Appetecchi, G. B., Simonetti, E., Zhao, M., Castner, E., Keiderling, U., ... Russina, O. (2019). Microscopic structural and dynamic features in triphilic room temperature ionic liquids. Frontiers in Chemistry, 7(APR), [285]. https://doi.org/10.3389/fchem.2019.00285

Microscopic structural and dynamic features in triphilic room temperature ionic liquids. / Lo Celso, Fabrizio; Appetecchi, Giovanni B.; Simonetti, Elisabetta; Zhao, Man; Castner, Ed; Keiderling, Uwe; Gontrani, Lorenzo; Triolo, Alessandro; Russina, Olga.

In: Frontiers in Chemistry, Vol. 7, No. APR, 285, 01.01.2019.

Research output: Contribution to journalArticle

Lo Celso, F, Appetecchi, GB, Simonetti, E, Zhao, M, Castner, E, Keiderling, U, Gontrani, L, Triolo, A & Russina, O 2019, 'Microscopic structural and dynamic features in triphilic room temperature ionic liquids', Frontiers in Chemistry, vol. 7, no. APR, 285. https://doi.org/10.3389/fchem.2019.00285
Lo Celso, Fabrizio ; Appetecchi, Giovanni B. ; Simonetti, Elisabetta ; Zhao, Man ; Castner, Ed ; Keiderling, Uwe ; Gontrani, Lorenzo ; Triolo, Alessandro ; Russina, Olga. / Microscopic structural and dynamic features in triphilic room temperature ionic liquids. In: Frontiers in Chemistry. 2019 ; Vol. 7, No. APR.
@article{ae29c0d742004d08be6f683dfacd7feb,
title = "Microscopic structural and dynamic features in triphilic room temperature ionic liquids",
abstract = "Here we report a thorough investigation of the microscopic and mesoscopic structural organization in a series of triphilic fluorinated room temperature ionic liquids, namely [1-alkyl,3-methylimidazolium][(trifluoromethanesulfonyl)(nonafluorobutylsulfonyl)imide], with alkyl=ethyl, butyl, octyl ([Cnmim][IM14], n=2, 4, 8), based on the synergic exploitation of X-ray and Neutron Scattering and Molecular Dynamics simulations. This study reveals the strong complementarity between X-ray/neutron scattering in detecting the complex segregated morphology in these systems at mesoscopic spatial scales. Use of MD simulations delivering very good agreement with experimental data allows gaining a robust understanding of the segregated morphology. The structural scenario is completed with determination of dynamic properties accessing the diffusive behaviour and a relaxation map is provided for [C2mim][IM14] and [C8mim][IM14], highlighting their natures as fragile glass formers.",
keywords = "Fluorous tail, Ionic Liquid, Molecular dynamics (MD), Neutron scattering, Triphilic",
author = "{Lo Celso}, Fabrizio and Appetecchi, {Giovanni B.} and Elisabetta Simonetti and Man Zhao and Ed Castner and Uwe Keiderling and Lorenzo Gontrani and Alessandro Triolo and Olga Russina",
year = "2019",
month = "1",
day = "1",
doi = "10.3389/fchem.2019.00285",
language = "English",
volume = "7",
journal = "Frontiers in Chemistry",
issn = "2296-2646",
publisher = "Frontiers Media S. A.",
number = "APR",

}

TY - JOUR

T1 - Microscopic structural and dynamic features in triphilic room temperature ionic liquids

AU - Lo Celso, Fabrizio

AU - Appetecchi, Giovanni B.

AU - Simonetti, Elisabetta

AU - Zhao, Man

AU - Castner, Ed

AU - Keiderling, Uwe

AU - Gontrani, Lorenzo

AU - Triolo, Alessandro

AU - Russina, Olga

PY - 2019/1/1

Y1 - 2019/1/1

N2 - Here we report a thorough investigation of the microscopic and mesoscopic structural organization in a series of triphilic fluorinated room temperature ionic liquids, namely [1-alkyl,3-methylimidazolium][(trifluoromethanesulfonyl)(nonafluorobutylsulfonyl)imide], with alkyl=ethyl, butyl, octyl ([Cnmim][IM14], n=2, 4, 8), based on the synergic exploitation of X-ray and Neutron Scattering and Molecular Dynamics simulations. This study reveals the strong complementarity between X-ray/neutron scattering in detecting the complex segregated morphology in these systems at mesoscopic spatial scales. Use of MD simulations delivering very good agreement with experimental data allows gaining a robust understanding of the segregated morphology. The structural scenario is completed with determination of dynamic properties accessing the diffusive behaviour and a relaxation map is provided for [C2mim][IM14] and [C8mim][IM14], highlighting their natures as fragile glass formers.

AB - Here we report a thorough investigation of the microscopic and mesoscopic structural organization in a series of triphilic fluorinated room temperature ionic liquids, namely [1-alkyl,3-methylimidazolium][(trifluoromethanesulfonyl)(nonafluorobutylsulfonyl)imide], with alkyl=ethyl, butyl, octyl ([Cnmim][IM14], n=2, 4, 8), based on the synergic exploitation of X-ray and Neutron Scattering and Molecular Dynamics simulations. This study reveals the strong complementarity between X-ray/neutron scattering in detecting the complex segregated morphology in these systems at mesoscopic spatial scales. Use of MD simulations delivering very good agreement with experimental data allows gaining a robust understanding of the segregated morphology. The structural scenario is completed with determination of dynamic properties accessing the diffusive behaviour and a relaxation map is provided for [C2mim][IM14] and [C8mim][IM14], highlighting their natures as fragile glass formers.

KW - Fluorous tail

KW - Ionic Liquid

KW - Molecular dynamics (MD)

KW - Neutron scattering

KW - Triphilic

UR - http://www.scopus.com/inward/record.url?scp=85064625769&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85064625769&partnerID=8YFLogxK

U2 - 10.3389/fchem.2019.00285

DO - 10.3389/fchem.2019.00285

M3 - Article

VL - 7

JO - Frontiers in Chemistry

JF - Frontiers in Chemistry

SN - 2296-2646

IS - APR

M1 - 285

ER -