Effectiveness of the bimetallic catalytic center over the monometallic one for catalyzing the rearrangement of cyclopropanated bicyclic derivatives

Abstract

Report shows that the cyclopropanated pentacyclic and pyran derivatives undergo ring opening reaction to form monocyclic compounds under the catalysis of Zeise's salt. Present study on the mechanism of the rearrangement reaction by density functional theory shows that this reaction prefers the involvement of two metal atoms, provided by the Zeise's dimer to generate the product. Moreover an external water molecule or alcohol is required to generate the end product. The reduced activation barrier of the reaction pathway, catalyzed by two metal atoms, explains the occurrence of the rearrangement reaction at ambient condition.