Cycloaddition Reactions of Metalloaromatic Complexes of Iridium and Rhodium: A Mechanistic DFT Investigation.

Studies the mechanistic details of 1,2 and 1,4-cycloaddition reactions of metalloaromatic complexes to isostructural iridiabenzene, iridiapyrylium and iridiathiabenzene complexes, with the use of density functional theory. Reaction of the first complex via a concerted reaction mechanism; Factors affecting the reaction mechanisms and outcome.