Mechanistic insight into the isomerization of allyl alcohol catalyzed by the Co(II)-PNP catalyst: Crucial role of spectator ligand
Molecular Catalysis(2021)
Abstract
•The origin of unusual non-MLC mechanism is unveiled by DFT calculation.•The crucial role of spectator ligands in MLC catalysis is illuminated.•MLC catalyst based d7 metal center is designed and evaluated theoretically.
MoreTranslated text
Key words
Catalytic mechanisms,Cobalt,Spin crossover,Electronic structure,Density functional theory (DFT)
AI Read Science
Must-Reading Tree
Example
![](https://originalfileserver.aminer.cn/sys/aminer/pubs/mrt_preview.jpeg)
Generate MRT to find the research sequence of this paper
Chat Paper
Summary is being generated by the instructions you defined