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


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.

SUBMITTER: Altowyan MS 

PROVIDER: S-EPMC8911880 | biostudies-literature | 2022 Mar

REPOSITORIES: biostudies-literature

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

Altowyan Mezna Saleh MS   Soliman Saied M SM   Lasri Jamal J   Eltayeb Naser E NE   Haukka Matti M   Barakat Assem A   El-Faham Ayman A  

Molecules (Basel, Switzerland) 20220301 5


The reaction of PtCl<sub>2</sub> with <i>s</i>-triazine-type ligand (<b>HTriaz</b>) (1:1) in acetone under heating afforded a new <b>[Pt(Triaz)Cl]</b> complex. Single-crystal X-ray diffraction analysis showed that the ligand (<b>HTriaz</b>) is an <i>NNO</i> tridentate chelate via two N-atoms from the <i>s</i>-triazine and hydrazone moieties and one oxygen from the deprotonated phenolic OH. The coordination environment of the Pt(II) is completed by one Cl<sup>-1</sup> ion <i>trans</i> to the Pt-N  ...[more]

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