In this study; firstly, 3-hydroxynahptyl-2-yl-N-(4-Methylphenyl) hydrazincarbotihioamide compound was synthesized by using 3-hydroxy-2-nahptonoic hydrazide compound. N-(4-methylphenyl)-N-(5-(3- hydroxynahptyl-2-yl)-1,3,4-oxadiazol-2-yl)amine compound was synthesized by the reaction mercury(II)acetate with the obtained compound. The structures of the compounds were characterized by using NMR, FT-IR, elemental analysis. In the second part of the study; HOMO- LUMO orbital energies, atoms’ mulliken charges and HOMO-1 and LUMO+1 orbital energies for molecular activity were investigated by using Gaussian 09. The compatibility of the theoretical NMR and FT-IR with experimental values were investigated.
Primary Language | Turkish |
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Subjects | Chemical Engineering |
Journal Section | Kimya / Chemistry |
Authors | |
Publication Date | March 31, 2018 |
Submission Date | July 25, 2017 |
Acceptance Date | October 2, 2017 |
Published in Issue | Year 2018 |