Synthesis, NMR, DFT, GRD, MEP, FMO's analysis and comparison of E and Z-isomer of N'-((4-bromothiophen-2-yl)methylene)naphthalene-2- sulfonohydrazide
- Publication Type
- Original research
- Authors
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A novel Schiff base N'-((4-bromothiophen-2-yl) methylene) naphthalene-2- sulfonohydrazide ligand was prepared by condensation of equivalents amount of naphthalene -2-sulfonylhydrazide with 4-bromo-2-thiophenecarboxaldehyde. The newly synthesized ligand was isolated in excellent yield. CHN-EA, UV-Vis., GC/MS, FT-IR, 1H and 13C NMR were used to determine the structure of the desired ligand. Density functional theory DFT B3LYP/6-311G(d,p) was performed to optimize the E and Zstructural isomerization process. Several quantum calculations parameters like optimized bond length, angles ant torsional angels in addition to HOMO/LUMO, GRD and MEP map, for both E and Z isomers have been calculated and compared under the same level of theory
Journal
- Title
- Moroccan Journal of Chemistry
- Publisher
- University Mohammed Premier Oujda
- Publisher Country
- Morocco
- Indexing
- Scopus
- Impact Factor
- 0.59
- Publication Type
- Both (Printed and Online)
- Volume
- 9
- Year
- 2021
- Pages
- 9