摘要
Titanium complexes bearing 2-(arylideneamino)phenolates and 2-((arylimino)methyl)phenolates were synthesized, and their catalytic activities in the polymerization of ϵ-caprolactone and l-lactide were studied. Among five-membered ring Ti complexes bearing 2-(arylideneamino)phenolates, FCl-Ti exhibited the highest level of catalytic activity ([CL] : [FCl-Ti] = 100 : 1, where [CL] = 2 M, and conv. = 86% at 60 °C after 9 h). For six-membered ring Ti complexes bearing 2-((arylimino)methyl)phenolates, SCl-Ti exhibited the highest level of catalytic activity ([CL] : [SCl-Ti] = 100 : 1, where [CL] = 2 M, and conv. = 88% at 60 °C after 118 h). The five-membered ring Ti complexes bearing 2-(arylideneamino)phenolates exhibited a higher level of catalytic activity (6.1-12.8 fold for the polymerization of ϵ-caprolactone and 6.2-23.0 fold for the polymerization of l-lactide) than the six-membered ring Ti complexes bearing 2-((arylimino)methyl)phenolates. The density functional theory (DFT) results revealed that the free energy of the first transition state FH-Ti-TS1 is 36.49 kcal mol−1 which is lower than that of SH-Ti-TS1 (46.58 kcal mol−1), which was ascribed to the fact that the Ti-Nim bond (2.742 Å) of FH-Ti-TS1 is longer than that of SH-Ti-TS1 (2.229 Å) and reduces the repulsion between ligands.
原文 | ???core.languages.en_GB??? |
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頁(從 - 到) | 15660-15673 |
頁數 | 14 |
期刊 | Dalton Transactions |
卷 | 53 |
發行號 | 37 |
DOIs | |
出版狀態 | 已出版 - 28 8月 2024 |
指紋
深入研究「A comparative study of titanium complexes bearing 2-(arylideneamino)phenolates and 2-((arylimino)methyl)phenolates as catalysts for ring-opening polymerization of ϵ-caprolactone and l-lactide」主題。共同形成了獨特的指紋。資料集
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CCDC 2264712: Experimental Crystal Structure Determination
Wu, L.-J. (貢獻者), Kottalanka, R. K. (貢獻者), Chu, Y.-T. (貢獻者), Chang, C.-J. (貢獻者), Ding, S. (貢獻者), Chen, H.-Y. (貢獻者), Wu, K.-H. (貢獻者), Chen, C.-K. (貢獻者) & Lin, Z. I. (貢獻者), Cambridge Crystallographic Data Centre, 2024
DOI: 10.5517/ccdc.csd.cc2g0m7c, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2g0m7c&sid=DataCite
資料集
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CCDC 2264713: Experimental Crystal Structure Determination
Wu, L.-J. (貢獻者), Kottalanka, R. K. (貢獻者), Chu, Y.-T. (貢獻者), Chang, C.-J. (貢獻者), Ding, S. (貢獻者), Chen, H.-Y. (貢獻者), Wu, K.-H. (貢獻者), Chen, C.-K. (貢獻者) & Lin, Z. I. (貢獻者), Cambridge Crystallographic Data Centre, 2024
DOI: 10.5517/ccdc.csd.cc2g0m8d, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc2g0m8d&sid=DataCite
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