Bromlu fenstatin türevlerinin seryum (IV) amonyum nitrat/lityum bromür (CAN/LiBr) ile sentezi ve yoğunluk fonksiyonel teorisi (DFT) ile incelenmesi

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In this study, (3,4-dimethoxyphenyl) (3,4,5-trimethoxyphenyl) methanone (7) being phenstatin derivation was synthesized using Eaton's reagent (CH 3 SO 3 H / P 2 O 5 ). Novel compound (2-bromo-3,4,5-trimethoxyphenyl) (3,4-dimethoxyphenyl) methanone (10) and (2,6-dibromo-3,4,5-trimethoxyphenyl) (3,4-dimethoxyphenyl) methanone (11) were synthesized with the bromination of diarylmethanone 7 with ceric (IV) ammonium nitrate (CAN/LiBr). In order to determine the structures of the compounds synthesized, IR, HRMS, 1 H and 13 C NMR spectroscopic analysis were used. Geometrical parameters of the products were optimized with the density functional theory (DFT) B3LYP method using the 6-311G(d,p) basis set implemented Gaussian 09 and analyzed their structural parameters (bond lenghts, bond angles, dihedral angles).