Developing design tools for introducing and tuning structural order in ionic liquids

Abstract

Ionic liquids – ionic crystals – ionic liquid crystals? Structural order in imidazolium-based ILs, a series of asymmetrical 1-dodecyl-2-methyl-3-alkylimidazolium bromides, [C12C1Cnim][Br] with n = 0–12.

A review on machine learning algorithms for the ionic liquid chemical space

“…124 For example, it is quite common for ILs that increasing the alkyl chain length has complex effects on the melting point, with even the direction of effect being different for shorter or longer chains, due to different preferable interactions or molecular arrangements caused by the alkyl chain itself. 125,126 In order for an algorithm to understand and model such complex behaviors, an adequate number or such examples in the training set is needed.…”

Bridging the crystal and solution structure of a series of lipid-inspired ionic liquids

“…Likely, these transitions correspond to mesophases related to changes in orientations of the alkyl chains and/or associations with the iodide anion. 38,82 Given the multiple orientations of the alkyl chains shown in the crystal structures presented herein, this observation could point to the likely existence of multiple crystalline or solid-state phases of compound 3 . As previously reported for structurally related ILs, low-temperature smectic phases and multiple crystalline states exist.…”

“…37 Recently, the Mudring group has reported the synthesis and characterization of several asymmetrical dmim-based ILs with long alkyl chains. 38 These dmim-based ILs displayed higher melting and clearing points while displaying increased hydrophobicity when contrasted with ILs based on methylimidazolium headgroups.…”

Investigation of the role of hydrogen bonding in ionic liquid-like salts with both N- and S-soft donors

“…The salts 3-5, once molten, do not crystallize upon cooling, but exhibit strong super cooling and vitrification way below room temperaturea thermal behavior, which is often found for ILs. 36,37 Compound 6 with melting upon heating and crystallization upon cooling shows similar thermal behavior to compound 2, albeit with a much lower degree of supercooling (8.4 °C).…”