Naslov
Supramolecular Ionic-Liquid Gels with High Ionic Conductivity

Autori
Maršavelski, Aleksandra ; Smrečki, Vilko ; Vianello, Robert ; Žinić, Mladen ; Moguš-Milanković, Andrea ; Šantić, Ana

Izvornik
Chemistry : a European journal (0947-6539) 21 (2015), 34; 12121-12128

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
gels; density functional calculations; ionic liquids

Sažetak
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.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA