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

Journal or seriesMolecules

eISSN1420-3049

Publication year2022

Publication date01/03/2022

Volume27

Issue number5

Article number1628

PublisherMDPI AG

Publication countrySwitzerland

Publication languageEnglish

DOIhttps://doi.org/10.3390/molecules27051628

Publication open accessOpenly available

Publication channel open accessOpen 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.


Keywordscoordination complexesplatinumdensity functional theoryx-ray crystallography

Free keywordsPt(II) complex; s-triazine; Hirshfeld; NBO; TD-DFT; X-ray


Contributing organizations


Ministry reportingYes

Reporting Year2022

JUFO rating1


Last updated on 2024-15-06 at 21:26