A New Pt(II) Complex with Anionic s-Triazine Based NNO-Donor Ligand: Synthesis, X-ray Structure, Hirshfeld Analysis and DFT Studies

The reaction of PtCl2 with s-triazine-type ligand (HTriaz) (1:1) in acetone under heating afforded a new [Pt(Triaz)Cl] complex. Single-crystal X-ray diffraction analysis showed that the ligand (HTriaz) is an NNO tridentate chelate via two N-atoms from the s-triazine and hydrazone moieties and one oxygen from the deprotonated phenolic OH. The coordination environment of the Pt(II) is completed by one Cl-1 ion trans to the Pt-N-(hydrazone). Hirshfeld surface analysis showed that the most dominant interactions are the H center dot center dot center dot H, H center dot center dot center dot C and O center dot center dot center dot H intermolecular contacts. These interactions contributed by 60.9, 11.2 and 8.3% from the whole fingerprint area, respectively. Other minor contributions from the Cl center dot center dot center dot H, C center dot center dot center dot N, N center dot center dot center dot H and C center dot center dot center dot C contacts were also detected. Among these interactions, the most significant contacts are the O center dot center dot center dot H, H center dot center dot center dot C and H center dot center dot center dot H interactions. The amounts of the electron transfer from the ligand groups to Pt(II) metal center were predicted using NBO calculations. Additionally, the electronic spectra were assigned based on the TD-DFT calculations.

Automated summary

In this study, a new [Pt(Triaz)Cl] complex was synthesized by the reaction of PtCl2 with s-triazine-type ligand (HTriaz) (1:1). Single-crystal X-ray diffraction analysis revealed that the ligand (HTriaz) formed an NNO tridentate chelate with two N-atoms from the s-triazine and hydrazone moieties and one oxygen from the deprotonated phenolic OH. Hirshfeld surface analysis showed that the most dominant interactions were H center dot center dot center dot H, H center dot center dot center dot C, and O center dot center dot center dot H intermolecular contacts. The electron transfer from the ligand groups to the Pt(II) metal center was predicted using NBO calculations, and the electronic spectra were assigned based on TD-DFT calculations.