Phenolysis of 2, 2?-Biphenoxy Thiophosphinic Chloride: Crystal Structures and DFT Calculations of 2, 2?-Biphenyl 4-Tert-Butylphenyl Thiophosphinate and 2, 2?-Biphenyl 3,4-di-Methylphenyl Thiophosphinate

dc.authoridBegeç, Saliha/0000-0001-5331-6736
dc.authorwosidBegeç, Saliha/AAA-9708-2021
dc.contributor.authorBegec, Saliha
dc.contributor.authorYuksel, Fatma
dc.contributor.authorChumakov, Yurii
dc.contributor.authorAlatas, Sümeyya
dc.contributor.authorKilic, Adem
dc.date.accessioned2024-08-04T20:53:06Z
dc.date.available2024-08-04T20:53:06Z
dc.date.issued2023
dc.departmentİnönü Üniversitesien_US
dc.description.abstractIn this work, firstly, thiophosphoryl chloride, PSCl3 (1), with 2,2'-dihydroxybiphenyl, 2,2 '-HOC6H4C6H4OH (2) were reacted. 2, 2 '-biphenoxy thiophosphinic chloride (3) was obtained from this reaction. Second, the reactions of compound (3) with sterically hindered phenol derivatives (4a-4h) were investigated. Novel alkyl-substituted phenyl 2, 2 '-biphenyl-thiophosphinate esters (C6H4O)(2)P(S)OAr (5-12) were obtained from these reactions. Structures of (5-12) were defined by IR, H-1, C-13, P-31 NMR spectroscopy, and elemental analysis. The molecular structures of 2, 2 '-biphenyl 4-tert-butylphenyl thiophosphinate (11) and 2, 2 '-biphenyl 3,4-di-methylphenyl thiophosphinate (6) were determined by single-crystal X-ray diffraction. Density functional theory (DFT) calculations of compounds 6 and 11 were made. The theoretical analysis of IR and NMR spectra was performed by DFT based on B3LYP level of theory.en_US
dc.description.sponsorshipInonu University Research Fund [I.U.B.A.P: 2008/49]; National Agency of Research and Development of R. Moldova of the Institute of Applied Physics [ANCD 20.80009.5007.15]en_US
dc.description.sponsorshipThis work was financially supported by Inonu University Research Fund [I.U.B.A.P: 2008/49] and the National Agency of Research and Development of R. Moldova [ANCD 20.80009.5007.15] of the Institute of Applied Physics.en_US
dc.identifier.doi10.1080/10406638.2022.2136721
dc.identifier.endpage7438en_US
dc.identifier.issn1040-6638
dc.identifier.issn1563-5333
dc.identifier.issue8en_US
dc.identifier.scopus2-s2.0-85140953502en_US
dc.identifier.scopusqualityQ3en_US
dc.identifier.startpage7426en_US
dc.identifier.urihttps://doi.org/10.1080/10406638.2022.2136721
dc.identifier.urihttps://hdl.handle.net/11616/100968
dc.identifier.volume43en_US
dc.identifier.wosWOS:000874719000001en_US
dc.identifier.wosqualityQ2en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherTaylor & Francis Ltden_US
dc.relation.ispartofPolycyclic Aromatic Compoundsen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectSterically hindered phenolsen_US
dc.subjectthiophosphoryl chlorideen_US
dc.subjectphosphorothionatesen_US
dc.subject2,2 '-dihydroxybiphenylen_US
dc.subjectX-ray crystal structureen_US
dc.subjectDFT calculationsen_US
dc.titlePhenolysis of 2, 2?-Biphenoxy Thiophosphinic Chloride: Crystal Structures and DFT Calculations of 2, 2?-Biphenyl 4-Tert-Butylphenyl Thiophosphinate and 2, 2?-Biphenyl 3,4-di-Methylphenyl Thiophosphinateen_US
dc.typeArticleen_US

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