Elucidating the Mechanism of Ambient-Temperature Aldol Condensation of Acetaldehyde on Ceria
Suman Bhasker-Ranganath, Md. Saeedur Rahman, Chuanlin Zhao, Florencia Calaza, Zili Wu, Ye Xu
Abstract
CHOHCHCHO adsorbed on an oxygen vacancy. It constitutes a deep energy minimum, rendering oxygen vacancies an inactive site for CrH formation under given conditions.
Topics & Concepts
AcetaldehydeAldol condensationDiffuse reflectance infrared fourier transformDensity functional theoryCondensationCatalysisDesorptionPhotochemistryChemistryAldol reactionFourier transform infrared spectroscopyReaction mechanismCondensation reactionDiffuse reflectionThermal desorption spectroscopyInorganic chemistryMaterials sciencePhysical chemistryChemical engineeringComputational chemistryOrganic chemistryAdsorptionPhotocatalysisThermodynamicsPhysicsEthanolEngineeringOpticsCatalytic Processes in Materials ScienceCatalysis and Oxidation ReactionsMesoporous Materials and Catalysis