Synthesis, characterization, theoretical calculations and enzymatic activities of novel diimine-dioxime ligand and its homodinuclear Cu(II) complex

Molecular docking-assisted investigation of Pd(II) complexes carrying “SNS” pincer-type pyridine-thioether ligand as potential drug candidates against COVID-19

“…When the FT-IR spectra are examined, the stretching vibration band of the (C N) group in the pyridine ring is observed at 1567 cm-1 in the ligand, while it is observed at 1588 cm-1 and 1568 cm-1 in the 2 and 3 complexes, respectively. This shift of 1–21 cm-1 in the azomethine group indicates that the complexation may occur over the nitrogen atom of the pyridine ring [ 55 ]. However, considering that the shift in complex 3 is as small as 1 cm-1, the structure we have proposed regarding the structure of complex 3 may be in a constant state of transformation.…”

Pd (II) complexes bearing “SNS” pincer‐type thioether ligands: Application as catalysts in the synthesis of vitamin K3

“…According to the these shifts, the ligands coordinated to metal ion through the azomethine groups which decreases electron density and bonding order of the C═N. [ 33,34 ] Asymmetric and symmetric acetate group stretching vibration band of the complexes were observed at 1,448/1,374, 1,450/1,374, 1,456/1,364, and 1,445/1,362 cm −1 , respectively. [ 35 ] Interactions of metal‐N and metal‐S were recorded in the complexes at 595–590 cm −1 and 492–489 cm −1 , respectively.…”

Synthesis, characterization, DNA binding, cytotoxicity and molecular docking properties of three novel butterfly‐like complexes with nitrogen‐containing heterocyclic ligands

“…Molecular structure optimization was conducted at the density function theory (DFT) level [ 31 ] . B3LYP (Becke's three‐parameter hybrid model using the Lee–Yang–Parr correlation functional) is one of the most popular DFT methods.…”