Begec, SalihaYuksel, FatmaChumakov, YuriiAlatas, SümeyyaKilic, Adem2024-08-042024-08-0420231040-66381563-5333https://doi.org/10.1080/10406638.2022.2136721https://hdl.handle.net/11616/100968In 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.eninfo:eu-repo/semantics/closedAccessSterically hindered phenolsthiophosphoryl chloridephosphorothionates2,2 '-dihydroxybiphenylX-ray crystal structureDFT calculationsArticle4387426743810.1080/10406638.2022.21367212-s2.0-85140953502Q3WOS:000874719000001Q2