Journal
ACS OMEGA
Volume 3, Issue 1, Pages 734-743Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acsomega.7b01873
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- Coordination for Improvement of Higher Education Personnel (CAPES/PROEX)
- CNPq
- CAPES
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Partition constants (K-D(degrees)), molecular dynamics (T-1, T-2, and DOSY measurements), thermal stability, and toxicity of dicationic ionic liquids (ILs) were determined. The dicationic ILs derived from 1,n-bis(3-methylimidazolim-1-yl) octane, [BisOct(MIM)(2)][2X] (in which X = Cl, Br, NO3, SCN, BF4, and NTf2), were evaluated to verify the influence of anion structure on the IL properties. A monocationic IL [Oct(MIM)][Br] was also monitored for comparison. In general, the solubility of the ILs followed the anion free energy of hydration (Delta G(hyd)(degrees)). The thermokinetic and thermodynamic functions of activation of the ILs were determined via thermogravimetric data, and it was observed that polyatomic anions influence the decomposition mechanism of these IL structures. Furthermore, [Oct(MIM)][Br] had a decomposition rate greater than that of the dicationic analogue, and the thermodynamic parameters of activation data corroborate these results. Finally, the dicationic ILs did not indicate toxic effects (LD50 > 40 mM).
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