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

Clarissa P. Frizzo | Zendy; Caroline R. Bender | Zendy; Paulo R. S. Salbego | Zendy; Carla Andressa Almeida Farias | Zendy; Thayanara C. da Silva | Zendy; Sílvio Terra Stefanello | Zendy; Tássia Limana da Silveira | Zendy; Félix Alexandre Antunes Soares | Zendy; Marcos A. Villetti | Zendy; Marcos A. P. Martins | Zendy

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

Author(s) -

Clarissa P. Frizzo,

Caroline R. Bender,

Paulo R. S. Salbego,

Carla Andressa Almeida Farias,

Thayanara C. da Silva,

Sílvio Terra Stefanello,

Tássia Limana da Silveira,

Félix Alexandre Antunes Soares,

Marcos A. Villetti,

Marcos A. P. Martins

Publication year - 2018

Publication title -

acs omega

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.779

H-Index - 40

ISSN - 2470-1343

DOI - 10.1021/acsomega.7b01873

Subject(s) - ionic liquid , chemistry , thermal stability , thermal decomposition , solubility , thermogravimetric analysis , ion , activation energy , ionic bonding , chemical stability , reaction rate constant , decomposition , partition coefficient , molecular dynamics , diffusion , inorganic chemistry , computational chemistry , organic chemistry , thermodynamics , kinetics , physics , quantum mechanics , catalysis

Partition constants ( K D ° ), 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, NO 3 , SCN, BF 4 , and NTf 2 ), 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 (Δ 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 (LD 50 > 40 mM).

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