ASYMMETRIC MONO(IMINE)PYRROLE NICKEL PMMA CATALYSTS: SYNTHESIS, CRYSTAL STRUCTURE, AND DFT CALCULATION
| العنوان: | ASYMMETRIC MONO(IMINE)PYRROLE NICKEL PMMA CATALYSTS: SYNTHESIS, CRYSTAL STRUCTURE, AND DFT CALCULATION |
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| المؤلفون: | Q.-Q. Han, T.-Y. Yan, B.-Y. Su, L.-T. Ran, Li Wang, D.-D. Pan, J.-D. Wu |
| المصدر: | Journal of Structural Chemistry. 62:1094-1104 |
| بيانات النشر: | Pleiades Publishing Ltd, 2021. |
| سنة النشر: | 2021 |
| مصطلحات موضوعية: | Materials science, Imine, chemistry.chemical_element, Crystal structure, Catalysis, Inorganic Chemistry, chemistry.chemical_compound, Nickel, Aniline, Molecular geometry, chemistry, Polymerization, Materials Chemistry, Physical chemistry, Physical and Theoretical Chemistry, Pyrrole |
| الوصف: | A series of asymmetric mono(imine)pyrroles (L1–L5) is synthesized using 2-acetylpyrrole and a series of dimethylanilines which have two methyl groups at different positions of the aniline ring. A simplified synthetic method is utilized to prepare the corresponding nickel complexes (1-5) with direct condensation of the mono(imine)pyrrole ligand and nickel chloride. All compounds are well characterized by EA, IR, 1H NMR, UV-Vis, XRD and TGA. XRD shows that all the ligands have similar geometries. XRD of 2 indicates that it has a tetra-coordinated geometry in which the ligand is chelated to the nickel center in a 2:1 molar ratio. The density functional theory (DFT) calculations of nickel complexes are performed at the B3LYP/3-21G level to obtain the total energy and the optimized molecular geometry. The calculation results are in agreement with the experimental data. This series of nickel complexes can effectively catalyze the polymerization of MMA in the presence of azodiisobutyronitrile (AIBN). The polymerization temperature and time, as well as the complex structure, influence to some extent the catalytic performance. By the orthogonal experimental design the polymerization reaction conditions are optimized. Under the optimum conditions of 100 °C and 10 h, complex 1 shows an excellent MMA polymerization catalytic activity of 9.861·104 g/mol·h, and a relatively higher molecular weight (Mn = 108798 g/mol) with a narrower molecular mass distribution (PDI = 2.2305). |
| تدمد: | 1573-8779 0022-4766 |
| URL الوصول: | https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2364198e3d554ed90a02cf676ca62d93 https://doi.org/10.1134/s0022476621070143 |
| حقوق: | CLOSED |
| رقم الأكسشن: | edsair.doi.dedup.....2364198e3d554ed90a02cf676ca62d93 |
| قاعدة البيانات: | OpenAIRE |
Find this article in full text from Springer Verlag. | تدمد: | 15738779 00224766 |
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