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  • 标题:TD-DFT and DFT studies on geometry, spectral, thermal and NMR of N'-(di(pyridin-2-yl)methylene)-2-hydroxybenzohydrazide
  • 本地全文:下载
  • 作者:Janim A. ; Al-Nuri M. ; Bani Odeh A.
  • 期刊名称:Journal of Materials and Environmental Science
  • 印刷版ISSN:2028-2508
  • 出版年度:2016
  • 卷号:7
  • 期号:9
  • 页码:3447-3453
  • 出版社:University of Mohammed Premier Oujda
  • 摘要: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, 1 H-NMR and 13 C- NMR 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.
  • 关键词:2;dipyridylketone; hydrazide; NMR; TD;DFT
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