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Iranian Journal of Chemistry and Chemical Engineering، جلد ۴۱، شماره ۸، صفحات ۲۶۰۷-۲۶۱۵
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عنوان انگلیسی Synthesis, Characterization, Crystal Structure and Density Functional Investigation of Dialkyl(phenyl((4-(phenyl diazenyl)phenyl) amino)methyl) Phosphonate
چکیده انگلیسی مقاله The reaction of 4-phenylazo-phenylamine and benzaldehydes with dimethyl phosphite resulted in three new α-azoaminophosphonates in excellent yields. Molecular identification of synthesized compounds were probed using NMR, FT-IR, and elemental analysis techniques. The single crystal X-ray diffraction studies were used to determine the molecular structure of dimethyl [(4-methoxyphenyl ((4-phenyl diazenyl) phenyl) amino) methyl] phosphonate. The synthesized molecule was crystallized in the monoclinic space group P21/c with a=11.213(2), b=19.205(4), c=11.429(2) Å, β = 116.95(3), V= 2193.8(8) Å3. Density functional theory calculation with B3LYP/6-311++G (2d, 2p) basis set has been used to determine geometry parameters and harmonic vibrational frequencies. The optimized geometrical parameters calculated by density functional theory show satisfactory agreement with experimental values.
کلیدواژه‌های انگلیسی مقاله α-Azoaminophosphonates,4-phenylazo-phenylmine,Dimethylphosphite,single crystal,density functional theory
نویسندگان مقاله Ali Kakanejadifard |
Department of Chemistry, Faculty of Science, Lorestan University, Khorramabad, I.R. IRAN

Motaleb Ghasemian |
Department of Chemistry, Faculty of Science, Lorestan University, Khorramabad, I.R. IRAN

Khadijah Arefizadeh |
Department of Chemistry, Faculty of Science, Lorestan University, Khorramabad, I.R. IRAN

Sakineh Omidi |
Department of Chemistry, Faculty of Science, Lorestan University, Khorramabad, I.R. IRAN

Behrouz Notash |
Department of Chemistry, Shahid Beheshti University, Tehran, I.R. IRAN

نشانی اینترنتی https://ijcce.ac.ir/article_248337_0fd45009928fdd6584ea21564f1d5d94.pdf
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