TD-DFT and DFT studies on geometry, spectral, thermal and NMR of N'-(di(pyridin-2-yl)methylene)-2-hydroxybenzohydrazide
- Publication Type
- Original research
- Authors
- Fulltext
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N'-(di(pyridin-2-yl)methylene)-2-hydroxybenzohydrazide was prepared and characterized in good yield by reflux of equivalent amounts of salicylic hydrazide with 2-dipyridylketone. The structure of the desired hydrazide was analyzed based on: elemental analysis, EI-MS, TG/DTG, UV-Visible, FT-IR, 1H-NMR and 13CNMR spectral analysis.The condensation reaction was monitored by FT-IR and UV Visible spectroscopy.The geometries, studied based on DFT was investigated using the B3LYP levels. The TDSCF-DFT (B3LYP and HF) calculations were compared to the experimental UV–Vis. spectrum.
Journal
- Title
- Journal of Materials and Environmental Science
- Publisher
- Universite Mohammed Premier Oujda
- Publisher Country
- Morocco
- Indexing
- Scopus
- Impact Factor
- None
- Publication Type
- Online only
- Volume
- 7
- Year
- 2016
- Pages
- 3447-3453