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

العنوان

Moroccan Journal of Chemistry

الناشر

University Mohammed Premier Oujda

بلد الناشر

المغرب

Indexing

Scopus

معامل التأثير

0,59

نوع المنشور

Both (Printed and Online)

المجلد

9

السنة

2021

الصفحات

9