A combined experimental and theoretical investigation of a new imineoxime and its palladium(II) and platinum(II) complexes: Synthesis, structural characterization and spectroscopic properties

• An imineoxime and its Pd(II) and Pt(II) complexes were synthesized.
• The compounds have been characterized by UV–vis, IR, NMR, LC–MS and X-ray crystallography.
• Isomer studies of the imineoxime were performed by DFT.
• Theoretical UV–vis, fluorescent and IR spectra have been calculated using DFT.

A new imineoxime compound {(1E,2E)-(2-hydroxy-ethylimino)-naphthalene-2yl-ethanal oxime (heineoH)} and its palladium(II) and platinum(II) complexes ([M(heineo)2]) have been synthesized and characterized by IR, NMR, UV–vis, elemental analysis, mass spectra and X-ray single crystal diffraction. [Pt(heineo)2] was obtained as a single crystal, while [Pd(heineo)2] was synthesized as a polycrystalline powder. The X-ray diffraction analysis of the [Pt(heineo)2] indicated that the platinum(II) ion is coordinated by two heineo ligands in a distorted square-planar geometry. DFT (B3LYP/6-311++G(d,p) and LANL2DZ) calculations on the ligand and its complexes were carried out to correlate the geometry and vibrational and electronic properties. Additionally, heineoH is fluorescent in EtOH at room temperature, but the fluorescence is quenched in the case of the metal complexes.

A new imineoxime ligand (heineoH) and its palladium(II) and platinum(II) complexes have been synthesized and characterized. This paper reports structural and spectroscopic characterization of the heineoH and its palladium(II) and platinum(II) complexes by using both experimental methods such as X-ray, UV–vis, IR and NMR, and DFT calculations.Figure optionsDownload as PowerPoint slide