Microscopic Structural and Dynamic Features in Triphilic Room Temperature Ionic Liquids

被引:29
作者
Lo Celso, Fabrizio [1 ]
Appetecchi, Giovanni B. [2 ]
Simonetti, Elisabetta [2 ]
Zhao, Man [3 ]
Castner, Edward W., Jr. [3 ]
Keiderling, Uwe [4 ]
Gontrani, Lorenzo [5 ]
Triolo, Alessandro [6 ]
Russina, Olga [5 ]
机构
[1] Univ Palermo, Dipartimento Fis & Chim, Palermo, Italy
[2] ENEA, Lab SSPT PROMAS MATPRO, Rome, Italy
[3] Rutgers Univ State Univ New Jersey, Dept Chem & Chem Biol, Newark, NJ USA
[4] Helmholtz Zentrum Mat & Energie GmbH, Soft Matter & Funct Mat, Berlin, Germany
[5] Univ Rome Sapienza, Dept Chem, Rome, Italy
[6] CNR, ISM, Lab Liquidi Ion, Rome, Italy
关键词
fluorous tail; triphilic; ionic liquid; neutron scattering; molecular dynamics (MD); BIMOLECULAR ELECTRON-TRANSFER; MOLECULAR-FORCE FIELD; PARTICLE MESH EWALD; X-RAY-SCATTERING; CARBON-DIOXIDE; ALKYL; AGGREGATION; ANIONS; ORGANIZATION; FLUORINATION;
D O I
10.3389/fchem.2019.00285
中图分类号
O6 [化学];
学科分类号
070301 [无机化学];
摘要
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(n)mim][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. 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(2)mim][IM14] and [C(8)mim][IM14], highlighting their natures as fragile glass formers.
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页数:14
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