Computational Investigations into the Mechanisms of Trans-Selective Hydrogenation and Hydrometalation of Alkynes

An overview on the mechanisms of the trans-selective hydrogenation and hydrometalation of alkynes using a CpRuL catalyst is provided. Unlike the more common mode of hydrogenation, syn, this select ruthenium catalyst system uniquely favors the products resulting from anti-addition across the alkyne π-system. The primary focus is summarizing the results of computational studies on the mechanism of these reactions, including key experimental supporting evidence. This chapter addresses hydrogenation, hydrosilylation, hydrostannation, and hydroboration. An overview of the mechanisms for all of these processes is highlighted