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Full-Text Articles in Physical Sciences and Mathematics
N–((2–Acetylphenyl)Carbamothioyl)Benzamide: Synthesis, Crystal Structure Analysis, And Theoretical Studies, Akin Oztaslar, Hakan Arslan
N–((2–Acetylphenyl)Carbamothioyl)Benzamide: Synthesis, Crystal Structure Analysis, And Theoretical Studies, Akin Oztaslar, Hakan Arslan
Karbala International Journal of Modern Science
N–((2–Acetylphenyl)carbamothioyl)benzamide has been synthesized and characterized. The molecular conformation of the investigated compound is stabilized by C16–H16B⋅⋅⋅O2i (i: 1+x, y, z) intermolecular and C14–H14⋅⋅⋅S1, N2–H2⋅⋅⋅O2, and N2–H2⋅⋅⋅O1 intramolecular H–bonds. All DFT calculations have been implemented at the B3LYP level with the 6–311G(d,p) basis set. The optimized molecular structure parameters have been compared with the experimental one in the solid phase. The energy gap, global chemical reactivity descriptor parameters, MEP, Fukui functions, DoS, NLO, and NBO analysis were also computed and investigated. The intermolecular interactions and their energies are evaluated using Hirshfeld surface and energy framework analyses. To determine …
New Alkyd Resins From Underutilized Indigenous Seed Oils: Synthesis And Characterization, Aliru O. Mustapha, Hakeem B. Ayoku, Halimah A. Amao
New Alkyd Resins From Underutilized Indigenous Seed Oils: Synthesis And Characterization, Aliru O. Mustapha, Hakeem B. Ayoku, Halimah A. Amao
Karbala International Journal of Modern Science
The underutilization of sesame (Sesamum indicum L.), sweet almond (Prunus amygdalus), and jatropha (Jatropha curcas) seeds indicates a significant resource waste. Nine different varieties of 25% (short), 40% (medium), and 60% (long) alkyd resins were produced from the cross-section of drying, semi-drying, and non-drying oils. A large amount of conversion occurred, with the extent of the reaction (Pav) decreasing as time progressed and the corresponding increase in alkyds' average degree of polymerization (Dp) showing synthesized alkyds. Surface drying from the set-to-dry and dry-through periods climaxed at 2 hours for all the alkyds. Except for alkali, synthesized alkyd resins demonstrated outstanding …