Mechanistic Details of the Titanium-Mediated Polycondensation Reaction of Polyesters: A DFT Study
In this work, the mechanism of polyester polycondensation catalysed by titanium catalysts was investigated using density functional theory (DFT). Three polyester polycondensation reaction mechanisms, including the Lewis acid mechanism (M1), the coordination of the ester alkoxy oxygen mechanism (M2)...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2023-10-01
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| Series: | Catalysts |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2073-4344/13/10/1388 |