Introduction to Dynamic Catalysis and the Interface Between Molecular and Heterogeneous Catalysts

Towards determining molecular structure with ESI-MS backed by computational methods: structures of subnanoclusters of Pd and Cu chlorides, ion dynamics in vacuum, and challenges to the methodology

“…Using the newly developed approach, we studied a model of a “precocktail” catalytic system relevant for cross-coupling and Wacker process catalysis. Activation of such precatalyst solutions, as shown in previous studies, 28,29,78 leads to the formation of a catalytic system with a diverse set of transition metal centers, including mono- and oligomer complexes and nanoparticles. We observed subnanoscale oligometallic clusters in the ESI-MS spectra of CuCl, PdCl 2 , and CuCl–PdCl 2 solutions in acetonitrile.…”

“…Such systems often form a “cocktail” of transition metal species with activity varying in the course of the reaction. 28,29…”

The effect of the DNA support on Pd/DNA catalyzed organic transformations

“…Over the last decade, Ananikov and co-workers have described cocktail-type dynamic systems during catalytic reactions, wherein transformations occur between molecular species, leaching, aggregation, and various interconversions of molecular species, clusters, and nanoparticles. 11,26,58,75,76 Trzeciak and co-workers also demonstrated a cocktail-type dynamic catalytic system in the carbonylative Sonogashira reaction, where leached palladium species and DNA supported Pd NPs were the active species for the catalytic transformation. 4).…”

Studying, Promoting, Exploiting, and Predicting Catalyst Dynamics: the Next Frontier in Heterogeneous Catalysis

“…A catalyst can contain several possible active species with unique nature and distinct properties, including different morphology, porosity, and composition . Each species has its respective thermodynamic and kinetic properties, which are critical in determining the reaction pathways, activity, and selectivity . Studying, and eventually predicting which species are present under which conditions, is essential to understanding and enhancing a catalyst’s performance …”

“…30 Each species has its respective thermodynamic and kinetic properties, which are critical in determining the reaction pathways, activity, and selectivity. 31 Studying, and eventually predicting which species are present under which conditions, is essential to understanding and enhancing a catalyst's performance. 15 Investigating the dynamics of catalytic interactions results in a deeper understanding of the connection between reaction conditions and the corresponding active species, which enables the simulation of certain dynamic behaviors in time-resolved variation.…”