The extraction mechanism research for the separation of indole through the formation of deep eutectic solvents with quaternary ammonium salts was written by Jiao, Tiantian;Ren, Chuhan;Lin, Shaojie;Zhang, Lianzheng;Xu, Xianzhen;Zhang, Yaqing;Zhang, Wenrui;Liang, Peng. And the article was included in Journal of Molecular Liquids in 2022.COA of Formula: C4H12ClN The following contents are mentioned in the article:
Indole is an important industrial substance that can be derived from coal tar. However, traditional acid-base separation method causes serious environmental problems. In this research, the indole separation abilities of different quaternary ammonium salts (QASs) from nitrogen-containing compounds and azeotrope systems were explored. Series of QASs with different substituent groups were investigated through examining the extraction efficiency, including tetraethylammonium chloride (TEAC), betaine hydrochloride (BHC), tetramethylammonium chloride (TMAC), tetraethylammonium bromide (TEAB), and benzyl trimethylammonium chloride (BTMAC). Among them, TEAC was found to be able to form deep eutectic solvents (DES) with indole. The effects of different exptl. conditions such as extraction time, extraction temperature, and mole ratio were studied and optimum extraction conditions were obtained. Quantum calculation was employed to explore the extraction mechanism. σ-profiles and σ-surfaces of QASs ions and related compounds were derived from COSMO database and analyzed to explore their interaction forces. The interaction energies between QASs ions and related compounds composed by misfit, van der Waals (VDW) and hydrogen bond (HB) were calculated based on COSMO-RS theory. Using these methods, the separation possibilities of indole through DES formation by QASs can be speculated. Ultimately, the bond lengths and interaction energies between QASs and indole were calculated concretely using Material Studio. The above quantum calculation proved the existence of hydrogen bonds between indole and QASs and the deductions obtained from quantum calculation were consistent with the exptl. results. According to the above anal., the separation method through DES formation was proved to have a relatively high requirement for extractant. The mechanism research in this article provided essential reference for the selection of applicable extractant, and the prediction of the separation efficiency. This study involved multiple reactions and reactants, such as Tetramethylammonium chloride (cas: 75-57-0COA of Formula: C4H12ClN).
Tetramethylammonium chloride (cas: 75-57-0) belongs to organic chlorides. Chlorinated organic compounds are found in nearly every class of biomolecules and natural products including alkaloids, terpenes, amino acids, flavonoids, steroids, and fatty acids. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.COA of Formula: C4H12ClN
Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics