Biological assays, electrochemical behavior, and theoretical DFT calculations of Ru(II) complexes of chiral phosphinite based based on ?-amino alcohols: Transfer hyrogenation of ketones using a HCOOH/ Et3N mixture

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dc.contributor.authorRafikova, Khadichakhan
dc.contributor.authorMeric, Nermin
dc.contributor.authorBinbay, Nil Ertekin
dc.contributor.authorOkumus, Veysi
dc.contributor.authorSever, M. Serif
dc.contributor.authorBelyankova, Yelizaveta
dc.contributor.authorTursynbek, Saniya
dc.date.accessioned2024-12-24T19:27:30Z
dc.date.available2024-12-24T19:27:30Z
dc.date.issued2024
dc.departmentSiirt Üniversitesi
dc.description.abstractSynthesis of two phosphinite ligands based on beta-amino alcohols, in high yields has been demonstrated. When we treated [Ru(arene)(mu-Cl)Cl]2 {arene:p-cymene,benzene} with chelating phosphinite ligands, we obtained neutral Ru(II)-complexes possessing the general formula [Ru(arene)phosphiniteCl2]. The structure of the ligands and complexes was confirmed using analytical and spectroscopic techniques. The quantum chemical calculations were carried out for the ruthenium complexes at the DFT/CAM-B3LYP level of theory in gas phase. The phosphinite complexes were subjected to cyclic voltammetry studies in order to determine the energies of HOMO and LUMO levels and to estimate their electrochemical and some electronic properties. Organic complex -based memory substrates were immobilized using TiO2-modified ITO electrodes, and the memory functions of phosphinite-based organic complexes were verified by chronoamperometry (CA) and open -circuit potential amperometry (OCPA). In the present study, the antioxidant potentials of ruthenium-basedp-cymene and benzene complexes through DPPH radical scavenging, metal chelating, and reducing power activities were also determined. In addition, DNA binding abilities and antimicrobial activities of these complexes against pathogenic bacteria were studied. Finally, the ruthenium complex, (2S)-1-{[(2S)-2-[(diphenylphosphanyl)oxy]propyl][(1R)-1- phenylethyl]amino}propan-2-yldiphenyl phosphinitobis[dichloro(eta 6-benzene)ruthenium(II)] also catalyzed asymmetric transfer hydrogenation of acetophenone with high conversion (up to 99%) and good enantioselectivity (ee up to 89 %), in the existence of formic acid and triethylamine in dichloromethane medium under air atmosphere.
dc.description.sponsorshipScience Committee of the Ministry of Education and Science of the Republic of Kazakhstan [AP13068542]; Dicle University [FEN.23.018]
dc.description.sponsorshipThe research is funded by the Science Committee of the Ministry of Education and Science of the Republic of Kazakhstan (Grant No: AP13068542) . Partial supports of this work by Dicle University (Project number: FEN.23.018) is gratefully acknowledged.
dc.identifier.doi10.1016/j.molstruc.2024.137556
dc.identifier.issn0022-2860
dc.identifier.issn1872-8014
dc.identifier.scopus2-s2.0-85183472027
dc.identifier.scopusqualityQ1
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2024.137556
dc.identifier.urihttps://hdl.handle.net/20.500.12604/6676
dc.identifier.volume1303
dc.identifier.wosWOS:001167959700001
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier
dc.relation.ispartofJournal of Molecular Structure
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_20241222
dc.subjectAsymmetric transfer hydrogenation (ATH)
dc.subjectB-amino alcohols
dc.subjectDFT and CAM-B3LYP
dc.subjectElectrochemical properties
dc.subjectCA and OCPA
dc.subjectBiological assay
dc.titleBiological assays, electrochemical behavior, and theoretical DFT calculations of Ru(II) complexes of chiral phosphinite based based on ?-amino alcohols: Transfer hyrogenation of ketones using a HCOOH/ Et3N mixture
dc.typeArticle

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