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.

Microscopic structural and dynamic features in triphilic room temperature ionic liquids / Lo Celso, Fabrizio; Appetecchi, Giovanni B.; Simonetti, Elisabetta; Zhao, Man; Castner, Edward J.; Keiderling, Uwe; Gontrani, Lorenzo; Triolo, Alessandro; Russina, Olga. - In: FRONTIERS IN CHEMISTRY. - ISSN 2296-2646. - 7:APR(2019). [10.3389/fchem.2019.00285]

Microscopic structural and dynamic features in triphilic room temperature ionic liquids

Appetecchi, Giovanni B.;Simonetti, Elisabetta;Gontrani, Lorenzo;Russina, Olga
2019

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.
2019
fluorous tail; ionic liquid; molecular dynamics (MD); neutron scattering; triphilic
01 Pubblicazione su rivista::01a Articolo in rivista
Microscopic structural and dynamic features in triphilic room temperature ionic liquids / Lo Celso, Fabrizio; Appetecchi, Giovanni B.; Simonetti, Elisabetta; Zhao, Man; Castner, Edward J.; Keiderling, Uwe; Gontrani, Lorenzo; Triolo, Alessandro; Russina, Olga. - In: FRONTIERS IN CHEMISTRY. - ISSN 2296-2646. - 7:APR(2019). [10.3389/fchem.2019.00285]
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11573/1264420
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