TD-DFT and DFT studies on geometry, spectral, thermal and NMR of N'-(di(pyridin-2-yl)methylene)-2-hydroxybenzohydrazide
نوع المنشور
بحث أصيل
المؤلفون
النص الكامل
تحميل

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.

المجلة
العنوان
Journal of Materials and Environmental Science
الناشر
Universite Mohammed Premier Oujda
بلد الناشر
المغرب
Indexing
Scopus
معامل التأثير
None
نوع المنشور
إلكتروني فقط
المجلد
7
السنة
2016
الصفحات
3447-3453