Deciphering metal-ion effects on CO2–epoxide cycloaddition: a DFT study using designed 2D metal–organic framework
Yang Fei, Qingjuan Lei, Liming Fan, Tuoping Hu, Qi‐Pin Qin, Xiutang Zhang
Topics & Concepts
CycloadditionChemistryLanthanideCatalysisDensity functional theoryBlueprintRational designRing (chemistry)Metal-organic frameworkTransition metalSubstrate (aquarium)Computational chemistryChemical stabilityCombinatorial chemistryNanotechnologyHeterogeneous catalysisTransition stateLewis acids and basesMetalReaction conditionsReaction mechanismStereochemistryStepwise reactionHomogeneous catalysisCarbon dioxide utilization in catalysisMetal-Organic Frameworks: Synthesis and ApplicationsCO2 Reduction Techniques and Catalysts