Correlating Structure and KA2 Catalytic Activity of ZnII Hydrazone Complexes

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Abstract

Two new Zn(II) complexes bearing tridentate hydrazone-based ligands with NNO or NNS donor atoms were synthesised and characterised by elemental analysis, infrared (IR) and nuclear magnetic resonance (NMR) spectroscopies, and single crystal X-ray diffraction methods. These complexes, together with four previously synthesised analogues, having hydrazone ligands with a NNO donor set of atoms, were successfully employed as catalysts in the ketone-amine-alkyne (KA2) coupling reaction, furnishing tetrasubstituted propargylamines, compounds with unique applications in organic chemistry. DFT calculations at the CAM-B3LYP/TZP level of theory were performed to elucidate the electronic structure of the investigated Zn(II) complexes, excellently correlating the structure of the complexes to their catalytic reactivity.

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Adejumo, T. T., Danopoulou, M., Zorba, L. P., Pevec, A., Zlatar, M., Radanović, D., … Vougioukalakis, G. C. (2023). Correlating Structure and KA2 Catalytic Activity of ZnII Hydrazone Complexes. European Journal of Inorganic Chemistry, 26(33). https://doi.org/10.1002/ejic.202300193

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