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

Mezna Saleh Altowyan; Saied M Soliman; Jamal Lasri; Naser E Eltayeb; Matti Haukka; Assem Barakat; Ayman El-Faham

doi:10.3390/molecules27051628

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

Molecules. 2022 Mar 1;27(5):1628. doi: 10.3390/molecules27051628.

Authors

Mezna Saleh Altowyan¹, Saied M Soliman², Jamal Lasri³, Naser E Eltayeb³, Matti Haukka⁴, Assem Barakat⁵, Ayman El-Faham²

Affiliations

¹ Department of Chemistry, College of Science, Princess Nourah bint Abdulrahman University, P.O. Box 84428, Riyadh 11671, Saudi Arabia.
² Department of Chemistry, Faculty of Science, Alexandria University, P.O. Box 426, Ibrahimia, Alexandria 21321, Egypt.
³ Department of Chemistry, Rabigh College of Science and Arts, King Abdulaziz University, Jeddah 21589, Saudi Arabia.
⁴ Department of Chemistry, University of Jyväskylä, P.O. Box 35, FI-40014 Jyväskylä, Finland.
⁵ Department of Chemistry, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia.

Abstract

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···H, H···C and O···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···H, C···N, N···H and C···C contacts were also detected. Among these interactions, the most significant contacts are the O···H, H···C and H···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.

Keywords: Hirshfeld; NBO; Pt(II) complex; TD-DFT; X-ray; s-triazine.

Grants and funding

PNURSP2022R86/Princess Nourah bint Abdulrahman University