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dc.contributor.authorSoliman, Saied M.
dc.contributor.authorLasri, Jamal
dc.contributor.authorHaukka, Matti
dc.contributor.authorElmarghany, Adel
dc.contributor.authorAl-Majid, Abdullah Mohammed
dc.contributor.authorEl-Faham, Ayman
dc.contributor.authorBarakat, Assem
dc.date.accessioned2020-05-25T09:04:28Z
dc.date.available2020-05-25T09:04:28Z
dc.date.issued2020
dc.identifier.citationSoliman, S. M., Lasri, J., Haukka, M., Elmarghany, A., Al-Majid, A. M., El-Faham, A., & Barakat, A. (2020). Synthesis, X-ray structure, Hirshfeld analysis, and DFT studies of a new Pd(II) complex with an anionic s-triazine NNO donor ligand. <i>Journal of Molecular Structure</i>, <i>1217</i>, Article 128463. <a href="https://doi.org/10.1016/j.molstruc.2020.128463" target="_blank">https://doi.org/10.1016/j.molstruc.2020.128463</a>
dc.identifier.otherCONVID_35701917
dc.identifier.urihttps://jyx.jyu.fi/handle/123456789/69181
dc.description.abstractA new Pd(II) complex, [Pd(Triaz)Cl], with the hydrazono-s-triazine ligand, 2,4-di-tert-butyl-6-((2-(4-morpholino-6-(phenylamino)-1,3,5-triazin-2-yl)hydrazono)methyl)phenol, was synthesized by the reaction of PdCl2 with the organic ligand (1:1) in acetone under isothermal conditions. The molecular structure of the [Pd(Triaz)Cl] complex was determined using FTIR and 1H NMR spectroscopic techniques, and single-crystal X-ray diffraction. Moreover, using Hirshfeld surface analysis, the percentages of the intermolecular interactions were determined. The obtained values were 60.6%, 11.6%, 8.1%, 3.6%, and 5.0% for the H⋯H, C⋯H, O⋯H, N⋯H, and Cl⋯H interactions, respectively. Among them, the O⋯H, C⋯H and C⋯N interactions are considered extremely important. Natural bond orbital calculations have been used to calculate the amount of electron transfer from the ligand to the metal ion and to evaluate the Pd–N, Pd–O, and Pd–Cl coordination bonding interactions.en
dc.format.mimetypeapplication/pdf
dc.languageeng
dc.language.isoeng
dc.publisherElsevier
dc.relation.ispartofseriesJournal of Molecular Structure
dc.rightsCC BY-NC-ND 4.0
dc.subject.others-triazine
dc.subject.otherhydrazone
dc.subject.otherPd(II) complex
dc.subject.otherHirshfeld surface analysis
dc.subject.otherNBO
dc.titleSynthesis, X-ray structure, Hirshfeld analysis, and DFT studies of a new Pd(II) complex with an anionic s-triazine NNO donor ligand
dc.typearticle
dc.identifier.urnURN:NBN:fi:jyu-202005253434
dc.contributor.laitosKemian laitosfi
dc.contributor.laitosDepartment of Chemistryen
dc.contributor.oppiaineEpäorgaaninen ja analyyttinen kemiafi
dc.contributor.oppiaineInorganic and Analytical Chemistryen
dc.type.urihttp://purl.org/eprint/type/JournalArticle
dc.description.reviewstatuspeerReviewed
dc.relation.issn0022-2860
dc.relation.volume1217
dc.type.versionacceptedVersion
dc.rights.copyright© 2020 Elsevier B.V. All rights reserved.
dc.rights.accesslevelopenAccessfi
dc.subject.ysomolekyylit
dc.format.contentfulltext
jyx.subject.urihttp://www.yso.fi/onto/yso/p2984
dc.rights.urlhttps://creativecommons.org/licenses/by-nc-nd/4.0/
dc.relation.doi10.1016/j.molstruc.2020.128463
jyx.fundinginformationThe authors would like to extend their sincere appreciation to the Deanship of Scientific Research at King Saud University for providing funding to this Research group NO (RGP −257).


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