ArticleChemical science2015
Linear scaling relationships and volcano plots in homogeneous catalysis - revisiting the Suzuki reaction.
Article in Chemical science, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 29 papers.
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Who cites it
29 citing papers in PubMed.
- Boosting COJournal of computational chemistry · 2026Article
- AI Approaches to Homogeneous Catalysis with Transition Metal Complexes.ACS catalysis · 2025Review
- SPOCK Tool for Constructing Empirical Volcano Diagrams from Catalytic Data.ACS catalysis · 2025Article
- Guided electrocatalyst design through in-situ techniques and data mining approaches.Nano convergence · 2025Review
- Capturing Dichotomic Solvent Behavior in Solute-Solvent Reactions with Neural Network Potentials.Journal of chemical theory and computation · 2024Article
- Data-driven discovery of active phosphine ligand space for cross-coupling reactions.Chemical science · 2024Article
- Discovery of molybdenum based nitrogen fixation catalysts with genetic algorithms.Chemical science · 2024Article
- Microkinetic Molecular Volcano Plots for Enhanced Catalyst Selectivity and Activity Predictions.ACS catalysis · 2024Article
- Engineering Frustrated Lewis Pair Active Sites in Porous Organic Scaffolds for Catalytic COJournal of the American Chemical Society · 2024Article
- Invariant Molecular Representations for Heterogeneous Catalysis.Journal of chemical information and modeling · 2024Article
- Automated de Novo Design of Olefin Metathesis Catalysts: Computational and Experimental Analysis of a Simple Thermodynamic Design Criterion.Journal of chemical information and modeling · 2024Article
- Accelerated chemical science with AI.Digital discovery · 2024Review
- Ratcheting synthesis.Nature reviews. Chemistry · 2024Review
- Realistic Modeling of the Electrocatalytic Process at Complex Solid-Liquid Interface.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2023Review
- Theory-guided development of homogeneous catalysts for the reduction of COChemical science · 2023Article
- Constructing and interpreting volcano plots and activity maps to navigate homogeneous catalyst landscapes.Nature protocols · 2022Review
- Mapping Active Site Geometry to Activity in Immobilized Frustrated Lewis Pair Catalysts.Angewandte Chemie (International ed. in English) · 2022Article
- Computational Analysis of Structure - Activity Relationships in Highly Active Homogeneous Ruthenium-based Water Oxidation Catalysts.Catalysts (Basel, Switzerland) · 2022Article
- Mapping Catalyst-Solvent Interplay in Competing Carboamination/Cyclopropanation Reactions.Chemistry (Weinheim an der Bergstrasse, Germany) · 2022Article
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Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Linear free energy scaling relationships and volcano plots are common tools used to identify potential heterogeneous catalysts for myriad applications. Despite the striking simplicity and predictive power of volcano plots, they remain unknown in homogeneous catalysis. Here, we construct volcano plots to analyze a prototypical reaction from homogeneous catalysis, the Suzuki cross-coupling of olefins. Volcano plots succeed both in discriminating amongst different catalysts and reproducing experimentally known trends, which serves as validation of the model for this proof-of-principle example. These findings indicate that the combination of linear scaling relationships and volcano plots could serve as a valuable methodology for identifying homogeneous catalysts possessing a desired activity through
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