Parametrization of Catalytic Organic Reactions with Convex Hammett Plots
Jordi Ballesteros–Soberanas, Cristina Bilanin, Antonio Leyva‐Pérez
Abstract
Quantification is essential to fairly compare between synthetic reactions in chemistry. Here we propose two new parameters called “adapted sensitivity constant” (ρadap) and “substrate electronics adaptability” (SEA), easily obtainable from Hammett plots, to assess the ability of a (catalytic) reaction to transform substrates with opposing electronics. These new parameters allow one to list reactions, catalyzed or not, as a function of substrate scope.
Topics & Concepts
Parametrization (atmospheric modeling)Substrate (aquarium)CatalysisChemistryScope (computer science)Computational chemistryAdaptabilityFunction (biology)Combinatorial chemistryMaterials scienceOrganic chemistryComputer sciencePhysicsQuantum mechanicsGeologyRadiative transferOceanographyEvolutionary biologyProgramming languageEcologyBiologyMachine Learning in Materials ScienceElectrocatalysts for Energy ConversionSurface Chemistry and Catalysis