دورية أكاديمية
Highly efficient catalyzed by imidazolium-based dual-sulfonic acid functionalized ionic liquids for liquid phase Beckmann rearrangement: experiments and COSMO-RS calculations
| العنوان: | Highly efficient catalyzed by imidazolium-based dual-sulfonic acid functionalized ionic liquids for liquid phase Beckmann rearrangement: experiments and COSMO-RS calculations |
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| المؤلفون: | Xin Guo, Zhiyuan Wang, Ye Yang, Jiahui Zhang, Yanduo Liu, Zhiyuan Mu, Siqi Jiang, Chunxiao Ren, Dan Lv, Yufeng Hu, Zhichang Liu |
| المصدر: | Green Chemical Engineering, Vol 5, Iss 1, Pp 108-118 (2024) |
| بيانات النشر: | KeAi Communications Co. Ltd., 2024. |
| سنة النشر: | 2024 |
| المجموعة: | LCC:Chemical engineering LCC:Biochemistry |
| مصطلحات موضوعية: | Liquid phase, Beckmann rearrangement, Imidazolium-based ionic liquids, COSMO-RS calculations, H-bond, Chemical engineering, TP155-156, Biochemistry, QD415-436 |
| الوصف: | A production technique with the high yield and environmentally friendly process need be developed for ε-Caprolactam (CPL) in the chemical industry. This technology is highly desired to design and synthesize high−performance catalysts for liquid phase Beckmann rearrangement of cyclohexanone oxime (CHO) to CPL. In this work, 3-methyl-1-(propyl-4-sulfonyl) imidazolium methanesulfonate ([PHSO3MIM][MSA]) with highly efficient and excellent yield is synthesized successfully. When the optimum molar ratio of ZnCl2 over [PHSO3MIM][MSA] was 0.02, it exhibits the high selectivity (94%) of CPL at 90 °C for 1 h. Interestingly, Fourier-transform infrared (FT-IR) investigations show that the functional Brønsted−Lewis acidic types of ionic liquids (ILs) are formed by the uniformly distributed ZnCl2 and [PHSO3MIM][MSA]. In addition, the hydrogen bond (H-bond) is formed between CHO and ILs. After ten reaction cycles, no significant structure changes are observed in the recovered [PHSO3MIM][MSA]·ZnCl2. The solubilities of ILs are predicted by using COSMO-RS model, the results show that [PHSO3MIM][MSA] is a promising candidate for the liquid phase Beckmann rearrangement of CHO into CPL. Finally, a theoretical model of the H-bond interactions between ILs and CHO is further confirmed to support the advance of reaction mechanism. A feasible way is provided for the CPL production technique in the liquid phase Beckmann rearrangement reaction. |
| نوع الوثيقة: | article |
| وصف الملف: | electronic resource |
| اللغة: | English |
| تدمد: | 2666-9528 |
| Relation: | http://www.sciencedirect.com/science/article/pii/S266695282300002X; https://doaj.org/toc/2666-9528 |
| DOI: | 10.1016/j.gce.2023.01.002 |
| URL الوصول: | https://doaj.org/article/dad82a07c6db408f91625c94c8eecbe7 |
| رقم الأكسشن: | edsdoj.82a07c6db408f91625c94c8eecbe7 |
| قاعدة البيانات: | Directory of Open Access Journals |
Full Text Finder | تدمد: | 26669528 |
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| DOI: | 10.1016/j.gce.2023.01.002 |