Ruthenium-CatalyzedAsymmetric <i>trans</i>-Selective Hydrogenation of 2,3-DisubstitutedQuinoxaline Derivatives

The asymmetric <i>trans</i>-selective hydrogenation of arenes has long been a significant challenge. In this work, we were able to control the <i>trans</i>/<i>cis</i> selectivity in ruthenium-catalyzed asymmetric hydrogenation of 2,3-disubstituted quinoxalines by varying the catalyst counteranion. Using density functional theory calculations, we investigated the weak interactionssuch as CH/π and hydrogen bondingamong the counteranion, the catalyst framework, and the substrate, elucidating the fundamental influence of counteranions on <i>trans</i>/<i>cis</i> selectivity in the asymmetric hydrogenation of quinoxalines.