دانلود مقاله با موضوع سنتز بدون کاتالیزور و حلال آلی، ساختاری و نظری مطالعات
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موضوع به انگلیسی:Catalyst-and organic solvent-free synthesis, structural, and theoretical
studies of 1-arylidenamino-2,4-disubstituted-2-imidazoline-5-ones
بخشی از متن:We have developed a solvent- and catalyst-free cyclization reaction for the synthesis of 1-arylidenamino-2,4-
disubstituted-2-imidazoline-5-ones under neat conditions. The new synthetic procedure is efficient and green
in nature. All synthesized compounds were obtained in good yields (70–78%) and have been characterized by
1H and 13C NMR spectroscopy. The structure of compound 2dwas characterized crystallographically using a single
crystal X-Ray diffractometer. Compound 2dwas found to crystallize in the triclinic space group P-1 with Z=
2. Moreover, the Frontier Molecular Orbitals (FMOs), the global chemical reactivity descriptors, and themolecular
Electrostatic Potential (MEP) of 2d have been calculated at B3LYP/6-31G(d,p) level of theory.
