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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
The reaction of PtCl(2) 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...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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MDPI
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8911880/ https://www.ncbi.nlm.nih.gov/pubmed/35268727 http://dx.doi.org/10.3390/molecules27051628 |
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author | Altowyan, Mezna Saleh Soliman, Saied M. Lasri, Jamal Eltayeb, Naser E. Haukka, Matti Barakat, Assem El-Faham, Ayman |
author_facet | Altowyan, Mezna Saleh Soliman, Saied M. Lasri, Jamal Eltayeb, Naser E. Haukka, Matti Barakat, Assem El-Faham, Ayman |
author_sort | Altowyan, Mezna Saleh |
collection | PubMed |
description | The reaction of PtCl(2) 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. |
format | Online Article Text |
id | pubmed-8911880 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-89118802022-03-11 A New Pt(II) Complex with Anionic s-Triazine Based NNO-Donor Ligand: Synthesis, X-ray Structure, Hirshfeld Analysis and DFT Studies Altowyan, Mezna Saleh Soliman, Saied M. Lasri, Jamal Eltayeb, Naser E. Haukka, Matti Barakat, Assem El-Faham, Ayman Molecules Article The reaction of PtCl(2) 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. MDPI 2022-03-01 /pmc/articles/PMC8911880/ /pubmed/35268727 http://dx.doi.org/10.3390/molecules27051628 Text en © 2022 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Altowyan, Mezna Saleh Soliman, Saied M. Lasri, Jamal Eltayeb, Naser E. Haukka, Matti Barakat, Assem El-Faham, Ayman A New Pt(II) Complex with Anionic s-Triazine Based NNO-Donor Ligand: Synthesis, X-ray Structure, Hirshfeld Analysis and DFT Studies |
title | A New Pt(II) Complex with Anionic s-Triazine Based NNO-Donor Ligand: Synthesis, X-ray Structure, Hirshfeld Analysis and DFT Studies |
title_full | A New Pt(II) Complex with Anionic s-Triazine Based NNO-Donor Ligand: Synthesis, X-ray Structure, Hirshfeld Analysis and DFT Studies |
title_fullStr | A New Pt(II) Complex with Anionic s-Triazine Based NNO-Donor Ligand: Synthesis, X-ray Structure, Hirshfeld Analysis and DFT Studies |
title_full_unstemmed | A New Pt(II) Complex with Anionic s-Triazine Based NNO-Donor Ligand: Synthesis, X-ray Structure, Hirshfeld Analysis and DFT Studies |
title_short | A New Pt(II) Complex with Anionic s-Triazine Based NNO-Donor Ligand: Synthesis, X-ray Structure, Hirshfeld Analysis and DFT Studies |
title_sort | new pt(ii) complex with anionic s-triazine based nno-donor ligand: synthesis, x-ray structure, hirshfeld analysis and dft studies |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8911880/ https://www.ncbi.nlm.nih.gov/pubmed/35268727 http://dx.doi.org/10.3390/molecules27051628 |
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