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Impact of Anions on the Partition Constant, Self-Diffusion, Thermal Stability, and Toxicity of Dicationic Ionic Liquids.

ABSTRACT: Partition constants (KD°), molecular dynamics (T1, T2, 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 (?G°hyd). 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).

SUBMITTER: Frizzo CP 

PROVIDER: S-EPMC6044912 | biostudies-literature | 2018 Jan

REPOSITORIES: biostudies-literature

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Impact of Anions on the Partition Constant, Self-Diffusion, Thermal Stability, and Toxicity of Dicationic Ionic Liquids.

Frizzo Clarissa P CP   Bender Caroline R CR   Salbego Paulo R S PRS   Farias Carla A A CAA   da Silva Thayanara C TC   Stefanello Sílvio T ST   da Silveira Tássia L TL   Soares Félix A A FAA   Villetti Marcos A MA   Martins Marcos A P MAP  

ACS omega 20180122 1

Partition constants (<i>K</i><sub>D</sub><sup>°</sup>), molecular dynamics (<i>T</i><sub>1</sub>, <i>T</i><sub>2</sub>, and DOSY measurements), thermal stability, and toxicity of dicationic ionic liquids (ILs) were determined. The dicationic ILs derived from 1,<i>n</i>-bis(3-methylimidazolim-1-yl)octane, [BisOct(MIM)<sub>2</sub>][2X] (in which X = Cl, Br, NO<sub>3</sub>, SCN, BF<sub>4</sub>, and NTf<sub>2</sub>), were evaluated to verify the influence of anion structure on the IL properties. A m  ...[more]

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