Data_Sheet_1_Microscopic Structural and Dynamic Features in Triphilic Room Temperature Ionic Liquids.PDF
Fabrizio Lo Celso
Giovanni B. Appetecchi
Elisabetta Simonetti
Man Zhao
Edward W. Castner
Uwe Keiderling
Lorenzo Gontrani
Alessandro Triolo
Olga Russina
10.3389/fchem.2019.00285.s001
https://frontiersin.figshare.com/articles/dataset/Data_Sheet_1_Microscopic_Structural_and_Dynamic_Features_in_Triphilic_Room_Temperature_Ionic_Liquids_PDF/8068577
<p>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 ([C<sub>n</sub>mim][IM<sub>14</sub>], 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. The use of MD simulations delivering a very good agreement with experimental data allows us to gain a robust understanding of the segregated morphology. The structural scenario is completed with determination of dynamic properties accessing the diffusive behavior and a relaxation map is provided for [C<sub>2</sub>mim][IM<sub>14</sub>] and [C<sub>8</sub>mim][IM<sub>14</sub>], highlighting their natures as fragile glass formers.</p>
2019-05-02 13:22:10
fluorous tail
triphilic
ionic liquid
neutron scattering
molecular dynamics (MD)