Comparison of the Reactivity and Structures for the Neutral and Cationic Bis(imino)pyridyl Iron and Cobalt Species by DFT Calculations
Density Functional Theory (DFT) method was adopted to investigate and compare the reaction mechanisms of ethylene polymerization catalyzed by neutral, cationic bis(imino)pyridyl (PDI) iron and cobalt derivatives. The electronic structure and the oxidation states of the metal center and the PDI ligan...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2020-11-01
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| Series: | Catalysts |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2073-4344/10/12/1396 |