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The utility of novel Fe 3 O 4 @Au nanoparticles as magnetically separable and recyclable heterogeneous catalysts for the A 3 -coupling reaction of aldehydes, amines and terminal alkynes to yield the corresponding propargylamines is demonstrated. Herein we present a comprehensive analysis of the experimentally observed trends in the conversions with computational analysis using LUMO density on molecular isosurfaces and the electrostatic potential (ESP) effects estimated using DFT calculations.

Magnetically recoverable Fe3O4@Au-coated nanoscale catalysts for the A3-coupling reaction

Magnetically recoverable Fe₃O₄@Au-coated nanoscale catalysts for the A³-coupling reaction