Abstract
A theoretical study on the Au-catalyzed cycloisomerization of a branched dienyne possessing an acetate at the propargylic position is presented. The peculiar architecture of the dienyne precursor, exhibiting both a 1,6- and a 1,5-enyne skeleton, leads, in the presence of alkynophilic gold catalysts, to a mixture of bicyclic compounds. DFT calculations are presented that rationalize in full THE manifold of reactions that lead to the different products.