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.authorid | Begeç, Saliha/0000-0001-5331-6736 | |
dc.authorwosid | Begeç, Saliha/AAA-9708-2021 | |
dc.contributor.author | Begec, Saliha | |
dc.contributor.author | Yuksel, Fatma | |
dc.contributor.author | Chumakov, Yurii | |
dc.contributor.author | Alatas, Sümeyya | |
dc.contributor.author | Kilic, Adem | |
dc.date.accessioned | 2024-08-04T20:53:06Z | |
dc.date.available | 2024-08-04T20:53:06Z | |
dc.date.issued | 2023 | |
dc.department | İnönü Üniversitesi | en_US |
dc.description.abstract | In 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.sponsorship | Inonu 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.sponsorship | This 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.doi | 10.1080/10406638.2022.2136721 | |
dc.identifier.endpage | 7438 | en_US |
dc.identifier.issn | 1040-6638 | |
dc.identifier.issn | 1563-5333 | |
dc.identifier.issue | 8 | en_US |
dc.identifier.scopus | 2-s2.0-85140953502 | en_US |
dc.identifier.scopusquality | Q3 | en_US |
dc.identifier.startpage | 7426 | en_US |
dc.identifier.uri | https://doi.org/10.1080/10406638.2022.2136721 | |
dc.identifier.uri | https://hdl.handle.net/11616/100968 | |
dc.identifier.volume | 43 | en_US |
dc.identifier.wos | WOS:000874719000001 | en_US |
dc.identifier.wosquality | Q2 | en_US |
dc.indekslendigikaynak | Web of Science | en_US |
dc.indekslendigikaynak | Scopus | en_US |
dc.language.iso | en | en_US |
dc.publisher | Taylor & Francis Ltd | en_US |
dc.relation.ispartof | Polycyclic Aromatic Compounds | en_US |
dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |
dc.rights | info:eu-repo/semantics/closedAccess | en_US |
dc.subject | Sterically hindered phenols | en_US |
dc.subject | thiophosphoryl chloride | en_US |
dc.subject | phosphorothionates | en_US |
dc.subject | 2,2 '-dihydroxybiphenyl | en_US |
dc.subject | X-ray crystal structure | en_US |
dc.subject | DFT calculations | en_US |
dc.title | 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 | en_US |
dc.type | Article | en_US |