Maršavelski, Aleksandra; Smrečki, Vilko; Vianello, Robert; Žinić, Mladen; Moguš-Milanković, Andrea; Šantić, Ana (2015) Supramolecular Ionic-Liquid Gels with High Ionic Conductivity. Chemistry : a European journal, 21 . pp. 12121-12128. ISSN 0947-6539
Abstract
Supramolecular ionogels were prepared by the gelation of room-temperature ionic liquid 1-butyl-3-methylimidazolium tetrafluoroborate ([BMIm][BF4]) with (S, S)-bis(leucinol) oxalamide. Remarkably, the ionic conductivity of solutions and ionogels with low gelator concentrations is higher than that of neat [BMIm][BF4]. On the basis of molecular dynamics simulations and quantum mechanical calculations, the origin of this phenomenon is attributed to the higher affinity of gelator molecules towards [BF4]- ions, which reduces the electrostatic attraction between [BMIm]+ and [BF4]- and thus increases their mobility. With increasing gelator concentration, the ionic conductivity decreases due to the formation of a denser gelator matrix, which hinders the pathways for ionic transport. However, even for very dense ionogels, this decrease is less than one order of magnitude relative to neat [BMIm][BF4], and thus they can be classified as highly conductive materials with strong potential for application as functional electrolytes.
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| Additional Information: | The authors gratefully acknowledge Dr. L. Frkanec (Laboratory of Supramolecular and Nucleoside Chemistry, Division of Organic Chemistry and Biochemistry, Rudjer Boskovic Institute, Zagreb, Croatia) for the synthesis of gelator and preparation of ionogels, and Prof. V. Bermanec (Geology Department, Faculty of Science, Zagreb, Croatia) for performing SEM studies. This work was supported by the Ministry of Science, Education and Sports of the Republic of Croatia (Grant No. 098-0982929-2916). R.V. gratefully acknowledges the European Commission for an individual FP7 Marie Curie Career Integration Grant (contract number PCIG12-GA-2012-334493). A.M. wishes to thank the Croatian Science Foundation for a doctoral stipend through the Career Development Project for Young Researchers (Contract No. I-3376-2014). | ||||||||
| Uncontrolled Keywords: | gels, density functional calculations, ionic liquids | ||||||||
| Subjects: | NATURAL SCIENCES > Chemistry | ||||||||
| Divisions: | Division of Materials Chemistry Division of Organic Chemistry and Biochemistry Division of Physical Chemistry |
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| Depositing User: | Ana Šantić | ||||||||
| Date Deposited: | 08 Dec 2016 15:26 | ||||||||
| URI: | http://fulir.irb.hr/id/eprint/3180 | ||||||||
| DOI: | 10.1002/chem.201500887 |
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