摘要
The mechanism and origin of the Cp^(X) ligand effects on Rh-catalyzed annulations with alkynes were inves-tigated using DFT calculations and the approach of energy decomposition analysis(EDA).The results reveal that the alkyne migratory insertion is the rate-determining step for the reactions with both acetanilide and 2-phenyl-2-propanol substrates.
基金
We acknowledge the financial support from the National Natural Science Foundation of China(No.21973055)
the Natural Science Foundation of Shandong Province(ZR2019MB049)
The Taishan Scholar of Shandong Province(No.tsqn201812013)
the Qilu Young Scholar of Shandong University are also acknowledged.
