Azo-substituted Schiff base complex of Pt(II): Synthesis, characterization, DFT and TD-DFT study

• An azo substituted Schiff base complex of Pt(II) was synthesized and characterized.
• DFT method was used to determine the shapes and energies of HOMO-3 to LUMO + 3.
• TD-DFT method was used to calculate the vertical excitation energies and the shape of UV–vis spectra.

The Pt(II) complex of N,N′-bis(5-phenylazosalicylidene) ethylenediamine was synthesized and characterized by IR and 1H NMR spectroscopies. TD-DFT calculations shows that the strong absorption at 397 nm in the electronic spectra could be attributed to HOMO to LUMO transition a combination of MLCT, n to π* and intraligand charge transfer and the other strong absorption at 348 nm is due to HOMO-1 to LUMO transition a combination of intraligand charge transfer, π to π* and n to π*.

The calculated electronic absorption spectra of azo-substituted salen complex of Pt(II) shows the similarity with the experimental spectra.Figure optionsDownload as PowerPoint slide