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A systematic DFT calculations was applied to examine that the Rh(Ⅲ) catalyst is how to catalyze N-enoxyphthalimides and alkenes to produce trans-cyclopropane derivative.The general mechanism was proposed to account for the synthesis of the trans-cyclopropane derivative based on catalytic cycles of C-H activation,alkenes migratory insertions,the cleavage of N-O bond,and C-C reductive elimination.The calculation results showed that the reaction pathway involved the formation of a Rh(Ⅴ) intermediate.