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Synthesis, X-ray structures and magnetic properties of Ni(II) complexes of heteroaromatic hydrazone
dc.creator | Keškić, Tanja | |
dc.creator | Jagličić, Zvonko | |
dc.creator | Pevec, Andrej | |
dc.creator | Čobeljić, Božidar | |
dc.creator | Radanović, Dušanka | |
dc.creator | Gruden, Maja | |
dc.creator | Turel, Iztok | |
dc.creator | Anđelković, Katarina | |
dc.creator | Brčeski, Ilija | |
dc.creator | Zlatar, Matija | |
dc.date.accessioned | 2020-10-12T20:30:03Z | |
dc.date.available | 2020-10-12T20:30:03Z | |
dc.date.issued | 2020 | |
dc.identifier.issn | 0277-5387 | |
dc.identifier.uri | https://cer.ihtm.bg.ac.rs/handle/123456789/3684 | |
dc.description.abstract | Two binuclear double end-on azido bridged Ni(II) complexes, [Ni2L2(μ-1,1-N3)2(N3)2]⋅2H2O (1a), and [Ni2L2(μ-1,1-N3)2(N3)2]⋅4H2O (1b) having the same inner sphere, where L=((E)-N,N,N-trimethyl-2-oxo-2-(2-(1-(thiazol-2-yl)ethylidene)hydrazinyl)ethan-1-aminium, were synthesized from the same solution and characterized by single-crystal X-ray diffraction methods. Variable‐temperature magnetic susceptibility measurements showed intra-dimer ferromagnetic coupling between Ni(II) ions. The ferromagnetic coupling is supported by the broken-symmetry DFT calculations, with the level of theory chosen based on a benchmark study on 19 additional structurally related binuclear Ni(II) complexes. The role of water molecules in crystals of 1a and 1b is explained by DFT based energy decomposition analysis. | en |
dc.language | en | |
dc.publisher | Elsevier | |
dc.relation | info:eu-repo/grantAgreement/MESTD/inst-2020/200168/RS// | |
dc.relation | info:eu-repo/grantAgreement/MESTD/inst-2020/200026/RS// | |
dc.relation | Slovenian Research Agency (P1-0175) | |
dc.relation | Slovenian Research Agency (P2-0348) | |
dc.relation.isversionof | https://cer.ihtm.bg.ac.rs/handle/123456789/3685 | |
dc.relation.isreferencedby | https://cer.ihtm.bg.ac.rs/handle/123456789/4439 | |
dc.relation.isreferencedby | https://cer.ihtm.bg.ac.rs/handle/123456789/4440 | |
dc.relation.isreferencedby | https://cer.ihtm.bg.ac.rs/handle/123456789/4441 | |
dc.rights | restrictedAccess | |
dc.source | Polyhedron | |
dc.subject | Ni(II) binuclear complexes | |
dc.subject | X-ray structure | |
dc.subject | Ferromagnetic coupling | |
dc.subject | broken symmetry DFT | |
dc.subject | Double-hybrid functionals | |
dc.subject | Energy Decomposition Analysis | |
dc.subject | DFT | |
dc.subject | exchange coupling | |
dc.subject | crystal water | |
dc.subject | double end-on azido bridge | |
dc.title | Synthesis, X-ray structures and magnetic properties of Ni(II) complexes of heteroaromatic hydrazone | en |
dc.type | article | en |
dc.rights.license | ARR | |
dcterms.abstract | Златар, Матија; Кешкић, Тања; Брчески, Илија; Груден, Маја; Јагличић, Звонко; Певец, Aндреј; Чобељић, Божидар; Радановић, Душанка; Турел, Изток; Aнђелковић, Катарина; | |
dc.rights.holder | Elsevier | |
dc.citation.volume | 191 | |
dc.citation.spage | 114802 | |
dc.citation.rank | M22~ | |
dc.description.other | The peer-reviewed version: [http://cer.ihtm.bg.ac.rs/handle/123456789/3685] | |
dc.description.other | Supplementary data: [https://cer.ihtm.bg.ac.rs/handle/123456789/4439] | |
dc.description.other | Crystallographic data (CCDC 2009327): [https://cer.ihtm.bg.ac.rs/handle/123456789/4441] | |
dc.description.other | Crystallographic data (CCDC 2009328): [https://cer.ihtm.bg.ac.rs/handle/123456789/4440] | |
dc.identifier.doi | 10.1016/j.poly.2020.114802 | |
dc.identifier.scopus | 2-s2.0-85091795591 | |
dc.identifier.wos | 000583325200007 | |
dc.type.version | publishedVersion |