J. Org. Chem.: RESOLV member, Prof. Elsa Sánchez-Garcia examines and compares the interactions between two different carbenes with coinage metal surfaces. Carbenes being key intermediates serve an important role in many chemical applications. In this study, the group computationally investigates cyclopentadienylidene (CP), an electrophilic reactive carbene, and it's structurally analogous nucleophilic counterpart, N-heterocylic carbene imidazolidene on three different coinage metal surfaces. The study reveals different adsorption geometries and charge transfer interactions which help in engineering new classes of on-surface catalyic systems based on the tailored reactivities of surface bound carbenes.
