دانلود گزارش کارورزی و کار آموزی

چکیده : 

By carrying out density functional theory (DFT) calculations, we have performed a detailed mechanism

study on the Pt(II)-catalyzed tandem migration reactions of propargylic carboxylates. Our calculated

results suggest that the 1,2-H migration and 1,2-allyl migration are the key paths for the reaction of 4-

(allyloxy)-1,4-diphenylbut-2-ynyl acetate (1A), and the 1,2-H migration path is favored. For the reaction

of another reactant, the double 1,2-acyloxy migration path is suitable. Due to the steric factor, butenyl

migration is unfavored in the reactant of She’s experiment. Our computational results are in agreement

with the experimental findings of Liang et al. and She et al