Synthesis, characterization, DFT calculations and antimicrobial activity of Cd(II) complexes with the condensation product of 2-quinolinecarboxaldehyde and Girard’s T reagent

Abstract

The chloro (1) and isocyanato (2) Cd(II) complexes with the condensation product of 2-quinolinecarboxaldehyde and trimethylammonium acetohydrazide chloride (Girard’s T reagent) (HLCl) have been synthesized and characterized by elemental analysis, IR, and NMR spectroscopy. The crystal structure of chloro Cd(II) complex (1) was determined. In 1 and 2, coordination surrounding of Cd(II) consists of deprotonated hydrazone ligand coordinated through NNO-donor atoms and two monodentates at the rest of the coordination places. Quantum chemical calculations of the molecular structures and the relative stabilities of linkage isomers of the Cd(II) complex showed that the isomer with N–Cd–N coordination of OCN⁻ is the most stable. The investigated Cd(II) complexes showed lower activity than standard antimicrobial drugs.

Keywords:

• Cd(II) complexes
• hydrazones
• crystal structure
• antimicrobial activity
• DFT

Acknowledgements

We thank EN-FIST Centre of Excellence, Trg OF 13, 1000 Ljubljana, Slovenia for use of the SuperNova diffractometer.