Correlating Structure and KA2 Catalytic Activity of ZnII Hydrazone Complexes
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 fo...
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Published in | European journal of inorganic chemistry Vol. 26; no. 33 |
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Main Authors | , , , , , , , , , , , |
Format | Journal Article |
Language | English |
Published |
Weinheim
Wiley Subscription Services, Inc
24.11.2023
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Subjects | |
Online Access | Get full text |
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Summary: | 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.
In this manuscript, the synthesis, characterization, and crystal structures of ZnII complexes bearing hydrazone ligands are described. The complexes were evaluated as possible catalysts in the ketone‐amine‐alkyne coupling reaction. Insights into the catalytic activity of the ZnII complexes were obtained by electronic structure investigations, using DFT calculations. |
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ISSN: | 1434-1948 1099-0682 |
DOI: | 10.1002/ejic.202300193 |