Acylation Reactions of Dibenzo‐7‐phosphanorbornadiene: DFT Mechanistic Insights

Abstract Extensive DFT calculations provide deep mechanistic insights into the acylation reactions of tert‐butyl dibenzo‐7‐phosphanobornadiene with PhCOX (X=Cl, Br, I, OTf) in CH2Cl2 solution. Such reactions are initialized by the nucleophilic P⋅⋅⋅C attack to the carbonyl group to form the acylphosp...

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Bibliographic Details
Main Authors: Dr. Zheng‐Wang Qu, Dr. Hui Zhu, Prof. Stefan Grimme
Format: Article
Language:English
Published: Wiley-VCH 2019-06-01
Series:ChemistryOpen
Subjects:
Online Access:https://doi.org/10.1002/open.201900176