| Autor: |
Chen, Mingan, Yang, Hui, Wong, Ming Wah |
| Předmět: |
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| Zdroj: |
Chemical Communications; 7/28/2022, Vol. 58 Issue 59, p8262-8265, 4p |
| Abstrakt: |
The commonly accepted mechanism of CO2 fixation of epoxides to cyclic carbonates catalyzed by multifunctional non-halide organocatalysts is challenged by our computational DFT-D3 study, which revealed a new polymerization-like mechanism comprising alternate epoxide and CO2 activation steps and a nested CO2 activation pathway. We investigated a recently reported CO2 coupling with epoxide reaction catalyzed by a bis-phenolic multifunctional catalyst. The predicted cis/trans product ratio is in excellent agreement with experimental results. The general applicability of the new mechanism is supported by another diamine-diacid catalyzed CO2 fixation reaction. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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