A1 Journal article (refereed)
A New Pt(II) Complex with Anionic s-Triazine Based NNO-Donor Ligand : Synthesis, X-ray Structure, Hirshfeld Analysis and DFT Studies (2022)

Altowyan, M. S., Soliman, S. M., Lasri, J., Eltayeb, N. E., Haukka, M., Barakat, A., & El-Faham, A. (2022). A New Pt(II) Complex with Anionic s-Triazine Based NNO-Donor Ligand : Synthesis, X-ray Structure, Hirshfeld Analysis and DFT Studies. Molecules, 27(5), Article 1628. https://doi.org/10.3390/molecules27051628

JYU authors or editors

Publication details

All authors or editors: Altowyan, Mezna Saleh; Soliman, Saied M.; Lasri, Jamal; Eltayeb, Naser E.; Haukka, Matti; Barakat, Assem; El-Faham, Ayman

Journal or series: Molecules

eISSN: 1420-3049

Publication year: 2022

Publication date: 01/03/2022

Volume: 27

Issue number: 5

Article number: 1628

Publisher: MDPI AG

Publication country: Switzerland

Publication language: English

DOI: https://doi.org/10.3390/molecules27051628

Publication open access: Openly available

Publication channel open access: Open Access channel

Publication is parallel published (JYX): https://jyx.jyu.fi/handle/123456789/80692

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: coordination complexes; platinum; density functional theory; x-ray crystallography

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

Contributing organizations

Ministry reporting: Yes

Reporting Year: 2022

JUFO rating: 1