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  • Tetrahydrothiophene-Based Ionic Liquids: Synthesis and Thermodynamic Characterizations.

Tetrahydrothiophene-Based Ionic Liquids: Synthesis and Thermodynamic Characterizations.

ChemistryOpen (2020-12-24)
Alexa Schmitz, Mark Bülow, Dana Schmidt, Dzmitry H Zaitsau, Fabian Junglas, Tim-Oliver Knedel, Sergey P Verevkin, Christoph Held, Christoph Janiak
ABSTRACT

S-alkyltetrahydrothiophenium, [Cn THT]+ bis(trifluorosulfonyl)imide, [NTf2 ]- room temperature ionic liquids (ILs) and tetraphenylborate, [BPh4 ]- salts with alkyl chain lengths from C4 to C10 have been prepared. The ILs and salts were characterized and their purity verified by 1 H- and 13 C-nuclear magnetic resonance, elemental analysis, ion chromatography, Karl-Fischer titration, single crystal X-ray diffraction as well as thermogravimetric analysis. The experimentally determined density and viscosity decrease with increasing temperature. The experimental solubility of the [Cn THT][NTf2 ]-ILs in water (75 to 2.2 mg/L for C4 to C10 ) was modelled with very good agreement by Perturbed Chain Statistical Associating Fluid Theory (PC-SAFT), based on the extremely low vapor pressures for the [Cn THT][NTf2 ]-ILs measured in this work (4.15 to 0.037 ⋅ 10-7 ×psat for C4 to C10 ). PC-SAFT is able to predict and correlate different thermodynamic properties by estimating the Helmholtz residual energy.

MATERIALS
Product Number
Brand
Product Description

Sigma-Aldrich
1-Iodohexane, contains copper as stabilizer, ≥98%
Sigma-Aldrich
1-Iodobutane, 99%, contains copper as stabilizer
Sigma-Aldrich
1-Iodooctane, 98%
Sigma-Aldrich
Tetrahydrothiophene, 99%
Sigma-Aldrich
1-Iododecane, 98%