Extending the Hammett correlation to mechanochemical reactions
Leonarda Vugrin, Maria Carta, Francesco Delogu, Iván Halász
Abstract
monitoring and mechanochemistry-specific kinetic analysis, we find a correlation between the reaction probability and the Hammett constants in a model mechanochemical reaction of imine formation, indicating that the body of knowledge developed in physical-organic chemistry could be transferable to ball milling reactions in the solid state.
Topics & Concepts
MechanochemistryChemistryBall millImineRaman spectroscopyKinetic energyReaction rate constantSolid-stateComputational chemistryPhysical chemistryKineticsMaterials scienceOrganic chemistryCatalysisMetallurgyPhysicsQuantum mechanicsOpticsComputational Drug Discovery MethodsCrystallography and molecular interactionsVarious Chemistry Research Topics