Please use this identifier to cite or link to this item: https://scidar.kg.ac.rs/handle/123456789/19314
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dc.rights.licenseCC0 1.0 Universal*
dc.contributor.authorKosanović, Marta-
dc.contributor.authorEichhorn, Thomas-
dc.contributor.authorMilenkovic, Dejan-
dc.contributor.authorKaluđerović, Goran-
dc.contributor.authorDimitrić Marković, Jasmina-
dc.contributor.authorDimić, Dušan-
dc.date.accessioned2023-11-06T11:30:20Z-
dc.date.available2023-11-06T11:30:20Z-
dc.date.issued2023-
dc.identifier.isbn9788682172024en_US
dc.identifier.urihttps://scidar.kg.ac.rs/handle/123456789/19314-
dc.description.abstractRuthenium(II) complexes have become increasingly recognized and utilized as potent anticancer agents in recent years. These compounds possess unique capabilities in targeting cancer cells and interfering with vital cellular processes, offering new hope in the relentless battle against cancer. This research study focuses on the characterization of a newly synthesized Ru(II)-naphthylhydrazine complex by IR and NMR spectroscopies. NMR spectral data have revealed the presence of different chemical environments within 1 based on the chemical shifts observed in the 1H and 13C NMR spectra. The infrared spectra were recorded in the region ranging from 400 cm-1 to 4000 cm-1, capturing a comprehensive range of vibrational modes of the studied compound with the main chemical groups outlined. The quantumchemical optimization of 1 at B3LYP/6-31+G(d,p)(H,C,N,Cl)/LanL2DZ(Ru) level of theory allowed the prediction of structural parameters and analysis of intramolecular interactions governing stability through Natural Bond Orbital approach. The future biological investigation of this compound is advised.en_US
dc.language.isoenen_US
dc.publisherUniversity of Kragujevac, Institute for Information Technologiesen_US
dc.rightsinfo:eu-repo/semantics/openAccess-
dc.rights.urihttp://creativecommons.org/publicdomain/zero/1.0/*
dc.source2nd International Conference on Chemo and BioInformaticsen_US
dc.subjectRu(II)en_US
dc.subjectDFTen_US
dc.subjectIRen_US
dc.subjectNMRen_US
dc.titleSynthesis, spectroscopic, and quantum-chemical analysis of mononuclear Ru(II)-naphthylhydrazine complexen_US
dc.typeconferenceObjecten_US
dc.description.versionPublisheden_US
dc.identifier.doi10.46793/ICCBI23.391Ken_US
dc.type.versionPublishedVersionen_US
Appears in Collections:Institute for Information Technologies, Kragujevac

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