文献类型：期刊文献

英文题名：Polyethylene Glycol-Based Halogen-Free Acidic Deep Eutectic Solvents for Removal of Olefins from Aromatics

作者：Yao, Xiaoyu[1]; Meng, Xuan[1]; Liu, Naiwang[1]; Shi, Li[1]

机构：[1] State Key Laboratory of Chemical Engineering, East China University of Science and Technology, Shanghai, 200237, China

年份：2023

外文期刊名：SSRN

收录：EI(收录号：20230242303)

语种：英文

外文关键词：Acetonitrile - Alkylation - Aromatization - Density functional theory - Eutectics - Fourier transform infrared spectroscopy - Hydrogen bonds - Olefins - Organic solvents - Polyethylene glycols - Polyethylenes

摘要：In this study, seven novel green acidic deep eutectic solvents (ADESs) based on polyethylene glycol (PEG) was successfully synthesized. Organic acids containing carboxylic acid and sulfonic acid functional groups were utilized as hydrogen bond donors (HBDs) for the synthesis. The formation mechanism of ADESs was elucidated through 1H NMR and FTIR spectroscopy, as well as density functional theory (DFT) calculations. Acetonitrile-IR spectroscopy was employed to investigate the acidity of the prepared ADESs, revealing the superior Lewis acidity of ADESs derived from carboxylic acid functional groups. The generation of Lewis acidic sites can be attributed to the hydrogen bonding interaction between the hydroxyl groups of PEG and the carboxylic acid functional groups, promoting the dissociation of carboxylic acid molecules. The obtained DES [PEG:2FA] and [PEG:2AA], with formic acid (FA) and acetic acid (AA) as HBDs, exhibited remarkable efficiency in removing olefins from aromatics under mild reaction conditions. GC-MS analysis of the reaction products confirmed the formation of alkylbenzenes, indicating the occurrence of alkylation reactions. Furthermore, a rational reaction mechanism was proposed to elucidate the reaction process of aromatics and olefins on acidic sites. ? 2023, The Authors. All rights reserved.