Crystal Structure and Hirshfeld Surface Analysis of a Heterometallic Hofmann-Type-Like Compound

Basit Öğe Kaydı
dc.contributor.authorKartal, Zeki
dc.contributor.authorŞahin, Zarife Sibel
dc.date.accessioned2025-03-23T19:09:25Z
dc.date.available2025-03-23T19:09:25Z
dc.date.issued2024
dc.departmentSinop Üniversitesi
dc.description.abstractIn this study; a new heterometallic compound defined by the open formula [Cd(H2O)2Ni(CN)4]4[Cd(H2O)4Ni(CN)4]5 was synthesized in crystal form. Consisting of components such as water molecules, [Ni(CN)4]2− anions, and cadmium transition metal atoms, this new crystal structure has no analogues which might have been previously obtained, even with other transition metal atoms. It is a new compound and a unique example of a crystal. The structural properties of this heterometallic compound have been characterized by single crystal X-ray diffraction spectroscopy (SC-XRD), FT-IR spectroscopy, thermal analysis and elemental analysis methods. According to the data obtained from the SC-XRD technique, this heterometallic compound has a monoclinic crystal system and a C2/c space group. The asymmetric unit of this compound consists of five Cd(II) ions, five Ni(II) ions, eighteen cyanide ligands, and fourteen coordinated water ligand molecules. In addition, theoretical calculations have been made with the Gaussian 03 program in order to obtain more information about this heterometallic Hofmann-type-like compound. The chemical properties of this new compound have been calculated using its HOMO and LUMO values and the natural bond orbital (NBO) analyses. In addition, Hirshfeld surface analysis of the asymmetric unit of this compound has been performed with the CrystalExplorer program. As a result of the Hirshfeld surface analysis, extensive information has been obtained about the weak intramolecular and intermolecular forces that form this new crystalline compound.
dc.identifier.doi10.33484/sinopfbd.1370598
dc.identifier.endpage95
dc.identifier.issn2536-4383
dc.identifier.issn2564-7873
dc.identifier.issue1
dc.identifier.startpage72
dc.identifier.trdizinid1243709
dc.identifier.urihttps://doi.org/10.33484/sinopfbd.1370598
dc.identifier.urihttps://search.trdizin.gov.tr/tr/yayin/detay/1243709
dc.identifier.urihttps://hdl.handle.net/11486/3345
dc.identifier.volume9
dc.indekslendigikaynakTR-Dizin
dc.language.isoen
dc.relation.ispartofSinop Üniversitesi fen bilimleri dergisi
dc.relation.publicationcategoryMakale - Ulusal Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.snmzKA_TR_20250323
dc.subjectMikroskopi
dc.subjectSpektroskopi
dc.subjectKimya
dc.subjectUygulamalı
dc.subjectKimya
dc.subjectİnorganik ve Nükleer
dc.titleCrystal Structure and Hirshfeld Surface Analysis of a Heterometallic Hofmann-Type-Like Compound
dc.typeArticle

Dosyalar

Koleksiyon

TR-Dizin İndeksli Yayınlar Koleksiyonu