Computational comparison of Rh2(esp)2 and Rh2(O2CH)4 as catalysts in a carbenoid reaction

A computational study of Rh2(esp)2-catalysed cyclopropanation of styrene with ethyl bromodiazoacetate is presented. The calculated structures and the energy profile of the reaction show a high level of similarity between Rh2(esp)2, a catalyst with sizeable, tethered ligands, and the simplified model catalyst Rh2(O2CH)4.