| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1233539 | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 2011 | 7 Pages |
Abstract
⺠The Schiff base compound NDHA is synthesized and is used for X-ray single-crystal determination and measuring Fourier transform infrared (FTIR), UV-visible, 1H NMR and 13C NMR spectra. ⺠The chemical shifts of the 1H NMR and 13C NMR spectra predicted by B3LYP/6-31+G(d,p) method are in good agreement with the experimental data. ⺠The electronic absorption spectrum calculated at the B3LYP/6-31+G(d,p) level by using TD-DFT method is in accordance with the observed UV-visible spectrum of NDHA.
Related Topics
Physical Sciences and Engineering
Chemistry
Analytical Chemistry
Authors
Vahid Saheb, Iran Sheikhshoaie,