[2+2] Cycloaddition or β-hydrogen elimination?—a DFT study of the reactions of propylene catalyzed by (PDI)Fe-metallacycle

Jiao, Mingyang; Wang, Zichen; Zhang, Beibei; Chen, Bo‐Zhen

doi:10.1039/d1nj05646h

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New J. Chem.

2022

DOI: 10.1039/d1nj05646h

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[2+2] Cycloaddition or β-hydrogen elimination?—a DFT study of the reactions of propylene catalyzed by (PDI)Fe-metallacycle

Mingyang Jiao

Zichen Wang

Beibei Zhang

et al.

Abstract: DFT method was used to investigate the mechanism of [2+2] cycloaddition reactions catalyzed by (PDI)Fe-metallacycle. The result indicates that the origin of chemoselectivity under different catalysts is more likely owing...

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[2+2] Cycloaddition or β-hydrogen elimination?—a DFT study of the reactions of propylene catalyzed by (PDI)Fe-metallacycle

Abstract: DFT method was used to investigate the mechanism of [2+2] cycloaddition reactions catalyzed by (PDI)Fe-metallacycle. The result indicates that the origin of chemoselectivity under different catalysts is more likely owing...

Cited by 0 publications

References 26 publications

No citations

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