Crystal structure, optical properties, spectroscopic characterization and density functional theory studies of a new rhodium (i)-imidazolidin-2-ylidene complexes: Synthesis, characterization and cytotoxic properties

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dc.authoridMansour, Lamjed/0000-0002-9415-9383
dc.authoridkaraca, emine özge/0000-0003-2094-9742
dc.authorwosidMansour, Lamjed/U-3028-2017
dc.authorwosidkaraca, emine özge/AAH-2535-2019
dc.contributor.authorKaraca, Emine Ozge
dc.contributor.authorCiftci, Osman
dc.contributor.authorOzdemir, Ilknur
dc.contributor.authorKarabiyik, Hande
dc.contributor.authorKarabiyik, Hasan
dc.contributor.authorGurbuz, Nevin
dc.contributor.authorOzdemir, Ismail
dc.date.accessioned2024-08-04T20:51:51Z
dc.date.available2024-08-04T20:51:51Z
dc.date.issued2022
dc.departmentİnönü Üniversitesien_US
dc.description.abstractRhodium(I) complexes bearing imidazolidin-2-ylidene ligands have been widely used in catalytic chemistry, but there are very few reports of the biological properties of these type complexes. A series of [RhCl(COD)(NHC)] complexes were synthesized. The structures of all compounds were characterized by 1H NMR, 13C NMR, IR and elemental analysis techniques, which supported the proposed structures. The single-crystal structures of complexes 1a and 1c have been determined. Single-crystal X-ray diffraction analysis indicates that complexes 1a and 1c crystallize in the centrosymmetric space groups P n m a and I 1 2/a 1 of the orthorhombic and monoclinic systems respectively. The ground state geometry of these complexes was optimized using density functional theory (DFT) at mixed double zeta basis set, 6-31G(d) for H, C, N, O and Cl and LANL2DZ for Rh. The presence of the different functional groups and the nature of their vibrations were identified by the experimental and theoretical infrared spectra. The optical properties of the studied complex were determined experimentally using UV-visible and photoluminescence techniques in solid-state and theoretically using the TD-DFT method. Hirshfeld surface analysis employing 3D molecular surface contours and 2D fingerprint plots has been used to analyze intermolecular interactions present in the solid-state. The cytotoxic properties of the rhodium(I)-NHC complexes have been assessed in various human cancer lines, including cisplatin-sensitive and resistant cells. IC50 values of these four complexes were determined by the MTS-based assay on three human cancer cell lines; brain (SH-SY5Y), colon (HTC116), and liver (Hep 3B). Substances 1a-d showed 100% anticarcinogenic effect in cancer cell lines at 50 and 100 mu M.en_US
dc.description.sponsorshipResearch Supporting Project, King Saud University (Riyadh, Saudi Arabia) [RSP-2021/75]; Dokuz Eylul University [2010.KB.FEN.13]; Inonu University Research Fund [IUBAP:FBG-2021-2562]en_US
dc.description.sponsorship1) This work was supported by the Research Supporting Project (RSP- 2021/75), King Saud University (Riyadh, Saudi Arabia).r 2) Hande Karabiyik and Hasan Karabiyik acknowledge Dokuz Eylul University for the use of the Rigaku Oxford Xcalibur Eos Diffractometer (purchased under University Research Grant No. 2010.KB.FEN.13) and Inonu University Research Fund (IUBAP:FBG-2021-2562)en_US
dc.identifier.doi10.1016/j.ica.2022.120936
dc.identifier.issn0020-1693
dc.identifier.issn1873-3255
dc.identifier.scopus2-s2.0-85127774206en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.urihttps://doi.org/10.1016/j.ica.2022.120936
dc.identifier.urihttps://hdl.handle.net/11616/100595
dc.identifier.volume537en_US
dc.identifier.wosWOS:000802298500002en_US
dc.identifier.wosqualityQ2en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherElsevier Science Saen_US
dc.relation.ispartofInorganica Chimica Actaen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectAntitumor activityen_US
dc.subjectImidazolidine-2-ylideneen_US
dc.subjectN -heterocyclic carbeneen_US
dc.subjectRhodium complexesen_US
dc.subjectCrystal structureen_US
dc.subjectDFT calculationsen_US
dc.subjectOptical propertiesen_US
dc.subjectHirshfeld Surface analysis (HS)en_US
dc.titleCrystal structure, optical properties, spectroscopic characterization and density functional theory studies of a new rhodium (i)-imidazolidin-2-ylidene complexes: Synthesis, characterization and cytotoxic propertiesen_US
dc.typeArticleen_US

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