Synthesis of two Hofmann type and Hofmann-type-like compounds in crystal form from 4-aminopyridine and their characterizations by various methods

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dc.contributor.authorKartal, Zeki
dc.contributor.authorSahin, Onur
dc.date.accessioned2025-03-23T19:39:22Z
dc.date.available2025-03-23T19:39:22Z
dc.date.issued2022
dc.departmentSinop Üniversitesi
dc.description.abstractThis study encompasses the synthesis of two heterometallic tetracyanonickelate(II) complexes based on 4-aminopyridine (4AP) in crystalline form along an investigation of their structural properties. These complexes were characterized by using vibration spectroscopy, elemental analysis, and single crystal X-ray diffraction (SC-XRD) techniques. According to the data obtained using the SC-XRD technique, the heterometallic [Cd(4AP)(2)Ni(mu(4)-CN)(4)](n) complex has the Triclinic crystal system and the P-1 space group. The other, heterometallic [Ni(4AP)(2)(H2O)(2)Ni(mu(2)-CN)(2)(CN)(2)](n) complex, has Monoclinic crystal system and C2/c space group. The asymmetric unit of heterometallic complex 1 consists of a Ni(II) ion, a Cd(II) ion, two cyanide ligands and a 4AP ligand. Also, the asymmetric unit of complex 2 consists of two Ni(II) ions, a 4AP ligand, two cyanide ligands, and two half coordinated water molecules. The molecular modeling of these complexes was analyzed with the Gaussian 03 program. The chemical properties of the metal complexes were calculated from the resulting HOMO and LUMO values and natural bond orbital (NBO) analysis. The Investigation of the elemental, spectral and SC-XRD data of these complexes reveals that the formulas [Cd(4AP)(2)Ni(mu(4)-CN)(4)](n) (1) and [Ni(4AP)(2)(H2O)(2)Ni(mu(2)-CN)(2)(CN)(2)](n) (2) fully explain their crystal structure. (C) 2021 Elsevier B.V. All rights reserved.
dc.description.sponsorship[2017/25]
dc.description.sponsorshipThe authors wish to thank in particular Kutahya Dumlupnar University, Turkiye, for the technical [Department of Physics and Chemistry; Advanced Technologies Center (ILTEM) ] and financial support with the project number 2017/25. The authors acknowl-edge to Scientific and Technological Research Application and Re-search Center, Sinop University, Turkiye, for the use of the Bruker D8 QUEST diffractometer.
dc.identifier.doi10.1016/j.molstruc.2021.132088
dc.identifier.issn0022-2860
dc.identifier.issn1872-8014
dc.identifier.scopus2-s2.0-85121136126
dc.identifier.scopusqualityQ1
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2021.132088
dc.identifier.urihttps://hdl.handle.net/11486/6333
dc.identifier.volume1252
dc.identifier.wosWOS:000745247300009
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier
dc.relation.ispartofJournal of Molecular Structure
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20250323
dc.subjectHofmann type complexes
dc.subjectHofmann-type-like complexes
dc.subject4-aminopyridine (4AP)
dc.subjectVibration spectra
dc.subjectSC-XRD analysis
dc.subjectDFT studies
dc.titleSynthesis of two Hofmann type and Hofmann-type-like compounds in crystal form from 4-aminopyridine and their characterizations by various methods
dc.typeArticle

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