Synthesis, spectroscopic characterization and density functional studies of a bis-benzimidazole derivative and of its complexes with palladium(II) halides

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dc.authoridGurbuz, Mustafa Ulvi/0000-0002-8684-5746
dc.authoridAltun, Ahmet/0000-0001-8818-9925
dc.authorwosidTurkyilmaz, Murat/AAK-7876-2020
dc.authorwosidAltun, Ahmet/J-2406-2018
dc.contributor.authorAghatabay, Naz Mohammed
dc.contributor.authorAltun, Ahmet
dc.contributor.authorGurbuz, Mustafa Ulvi
dc.contributor.authorTurkyilmaz, Murat
dc.date.accessioned2024-06-12T11:08:42Z
dc.date.available2024-06-12T11:08:42Z
dc.date.issued2014
dc.departmentTrakya Üniversitesien_US
dc.description.abstractThe 2,6-bis(benzimidazol-2'-ylthiomethyl)pyridine (L) ligand and its palladium(II) complexes [Pd(L)X]X (X=Cl, Br, and I) have been synthesized and characterized by spectroscopic data acquisition. The ligand (L) was prepared by conventional heating as well as by microwave irradiation. Microwave irradiation shows additional features, including an easy workup, a much faster reaction and higher yields. The molar conductivity data reveal that the complexes form a 1:1 electrolyte in DMSO. The geometries, ground-state energetics and vibrational spectra of (L) and of its complexes have been elucidated, in terms of quantum chemical calculations. In the mononuclear complexes, the palladium atom is coordinated to three nitrogen atoms and one terminal halogen atom in a slightly distorted square planar arrangement. The present elemental analyses, FT-IR (mid, far), H-1 and C-13 NMR spectra are in good accordance with the square planar geometry around the Pd ion. The thermal behaviors of the complexes have been assessed by thermal gravimetric and differential thermal analyses. (C) 2013 Academie des sciences. Published by Elsevier Masson SAS. All rights reserved.en_US
dc.description.sponsorshipFatih University [P50021202_Y(2363), P50011102 _Y(1679)]en_US
dc.description.sponsorshipThis work was supported by the Scientific Research Fund of Fatih University under project numbers P50021202_Y(2363) and P50011102 _Y(1679).en_US
dc.identifier.doi10.1016/j.crci.2013.10.016
dc.identifier.endpage912en_US
dc.identifier.issn1631-0748
dc.identifier.issn1878-1543
dc.identifier.issue9en_US
dc.identifier.scopus2-s2.0-84905266837en_US
dc.identifier.scopusqualityQ3en_US
dc.identifier.startpage905en_US
dc.identifier.urihttps://doi.org/10.1016/j.crci.2013.10.016
dc.identifier.urihttps://hdl.handle.net/20.500.14551/22531
dc.identifier.volume17en_US
dc.identifier.wosWOS:000341121600005en_US
dc.identifier.wosqualityQ2en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherElsevier France-Editions Scientifiques Medicales Elsevieren_US
dc.relation.ispartofComptes Rendus Chimieen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectMononuclearen_US
dc.subjectMolar Conductivityen_US
dc.subjectThermogravimetryen_US
dc.subjectMicrowave Irradiationen_US
dc.subjectDFT Calculationsen_US
dc.subjectM-Methylaniline Complexesen_US
dc.subjectVibrational-Spectraen_US
dc.subjectAntimicrobial Activityen_US
dc.subjectCrystal-Structureen_US
dc.subjectChelating-Agentsen_US
dc.subjectP-Methylanilineen_US
dc.subjectMoller-Plesseten_US
dc.subjectHartree-Focken_US
dc.subjectDna-Bindingen_US
dc.subjectZn(Ii)en_US
dc.titleSynthesis, spectroscopic characterization and density functional studies of a bis-benzimidazole derivative and of its complexes with palladium(II) halidesen_US
dc.typeArticleen_US

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