Binding and Orientation of Carbamate Pesticides on Silica Surfaces
Bromley L, Videla P, Cartagena-Brigantty J, Batista V, Velarde L. Binding and Orientation of Carbamate Pesticides on Silica Surfaces. The Journal Of Physical Chemistry C 2023, 127: 8399-8410. DOI: 10.1021/acs.jpcc.3c02312.Peer-Reviewed Original ResearchSilica surfaceCarbamate pesticidesVibrational sum frequency generation spectroscopySum frequency generation spectroscopyHydrogen-bonding interactionsFrequency generation spectroscopyHydrophilic silica surfaceAdsorption of carbarylCharacterization of interactionsAerosol interfacesSurface silanolsGeneration spectroscopyCarbaryl moleculeSurface water contaminantsCarbamate groupSilica/air interfaceWater contaminantsAromatic ringPotential degradation mechanismsEnvironmental relevanceDegradation mechanismSpecific interactionsMineral particlesAtomistic simulationsPesticides