A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
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-tekijät tai -toimittajat

Julkaisun tiedot

Julkaisun kaikki tekijät tai toimittajat: Altowyan, Mezna Saleh; Soliman, Saied M.; Lasri, Jamal; Eltayeb, Naser E.; Haukka, Matti; Barakat, Assem; El-Faham, Ayman

Lehti tai sarja: Molecules

eISSN: 1420-3049

Julkaisuvuosi: 2022

Ilmestymispäivä: 01.03.2022

Volyymi: 27

Lehden numero: 5

Artikkelinumero: 1628

Kustantaja: MDPI AG

Julkaisumaa: Sveitsi

Julkaisun kieli: englanti

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

Julkaisun avoin saatavuus: Avoimesti saatavilla

Julkaisukanavan avoin saatavuus: Kokonaan avoin julkaisukanava

Julkaisu on rinnakkaistallennettu (JYX): https://jyx.jyu.fi/handle/123456789/80692

Tiivistelmä

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.

YSO-asiasanat: kompleksiyhdisteet; platina; tiheysfunktionaaliteoria; röntgenkristallografia

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

Liittyvät organisaatiot

OKM-raportointi: Kyllä

Raportointivuosi: 2022

JUFO-taso: 1