Chelate ring stacking interactions in the supramolecular assemblies of Zn(II) and Cd(II) coordination compounds: a combined experimental and theoretical study

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dc.authoridFrontera, Antonio/0000-0001-7840-2139
dc.authoridSahin, Onur/0000-0003-3765-3235
dc.authoridManiukiewicz, Waldemar/0000-0001-6094-0748
dc.authoridKhandar, Ali Akbar/0000-0002-0897-2264
dc.authoridGurbanov, Atash/0000-0003-1415-8012
dc.authoridMahmoudi, Ghodrat/0000-0002-4846-5283
dc.authoridAfkhami, Farhad/0000-0003-2731-4010
dc.contributor.authorAfkhami, Farhad Akbari
dc.contributor.authorKhandar, Ali Akbar
dc.contributor.authorMahmoudi, Ghodrat
dc.contributor.authorManiukiewicz, Waldemar
dc.contributor.authorGurbanov, Atash V.
dc.contributor.authorZubkov, Fedor I.
dc.contributor.authorSahin, Onur
dc.date.accessioned2025-03-23T19:35:43Z
dc.date.available2025-03-23T19:35:43Z
dc.date.issued2017
dc.departmentSinop Üniversitesi
dc.description.abstractThe self-assembly of Zn(II) and Cd(II) ions with two isomeric tetradentate ligands, 2-pyridyl-isonicotinoylhydrazone (HL1) and 2-benzoylpyridyl-picolinoylhydrazone (HL2), was studied by elemental analysis, FT-IR spectroscopy and single-crystal X-ray diffraction. The reaction of zinc(II) and cadmium(II) salts with HL1 and HL2 in methanol under solvothermal conditions produced six monomer and one tetranuclear zinc(II) complexes, namely, Zn(HL1) Br-2 (1), Zn(HL1)Cl-2 (2), [Cd(HL1)(2)](NO3)(2)center dot H2O (3), Cd(HL2)Br-2(4),Zn(HL2)Cl-2 (5), Zn(HL2)Br-2 (6) and [Zn-4(L-2)(4)I-2][ZnI4]center dot 2H(2)O (7). The structure of 7 includes a cationic tetranuclear cluster of four zinc ions, four ligands, and two anions, counterbalanced by ZnI42- ions. However, the reaction of zinc(II) and cadmium(II) salts with HL1 under the same conditions produced monomer compounds. Herein, the ligand effects on the complex structures were studied. Hirshfeld surface analysis and fingerprint plots facilitate the comparison of intermolecular interactions in compounds 1-7, which are crucial in building supramolecular architectures.
dc.description.sponsorshipMinistry of Education and Science of the Russian Federation [02.a03.21.0008]; DGICYT of Spain [CTQ2014-57393-C2-1-P]
dc.description.sponsorshipWe are grateful to the University of Tabriz Research Council for the financial support of this research. This work was supported by the Ministry of Education and Science of the Russian Federation (Agreement number 02.a03.21.0008). A. F. thanks the DGICYT of Spain (project CTQ2014-57393-C2-1-P, FEDER funds). We thank the CTI (UIB) for the computational facilities.
dc.identifier.doi10.1039/c6ce02666d
dc.identifier.endpage1399
dc.identifier.issn1466-8033
dc.identifier.issue10
dc.identifier.scopus2-s2.0-85014567998
dc.identifier.scopusqualityQ2
dc.identifier.startpage1389
dc.identifier.urihttps://doi.org/10.1039/c6ce02666d
dc.identifier.urihttps://hdl.handle.net/11486/5919
dc.identifier.volume19
dc.identifier.wosWOS:000396132500006
dc.identifier.wosqualityQ1
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherRoyal Soc Chemistry
dc.relation.ispartofCrystengcomm
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.snmzKA_WOS_20250323
dc.subjectDensity-Functional Theory
dc.subjectCrystal-Structures
dc.subjectBenzene Dimer
dc.subjectStructural Diversity
dc.subjectMagnetic-Properties
dc.subjectManganese Cluster
dc.subjectAromatic Stacking
dc.subjectPi Interactions
dc.subjectCarbon-Dioxide
dc.subjectPhenyl Rings
dc.titleChelate ring stacking interactions in the supramolecular assemblies of Zn(II) and Cd(II) coordination compounds: a combined experimental and theoretical study
dc.typeArticle

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