Synthesis, FTIR, FT-Raman, UV–visible, ab initio and DFT studies on benzohydrazide

Synthesis, characterization and spectroscopic studies of novel peripherally tetra-imidazole substituted phthalocyanine and its metal complexes, the computational and experimental studies of the novel phthalonitrile derivative

“…These vibrations calculated at 1017 and 953 cm À1 respectively were in agreement with the experimental results at 992 and 934 cm À1 [54,56,58].…”

UV Spectra of Glycolic Acid Derivatives – A Time-Dependant Density Functional Theory Examination

“…Earlier, Arjunan et. al also studied the experimental and DFT studies on benzohydrazide [12]. They have reported that the vibrational frequency for benzohydrazide was present under UV filter region.…”

“…It also used in the sunscreen products [6][7][8][9]. However, very few studies were reported on the related systems both theoretically [10][11][12][13][14][15][16][17] as well as experimentally [11,12,18,19]. As far as we have seen from the literatures collected so far, there is no UV spectral study reported in the literature in the glycolic acid conformers and their derivatives.…”

Vibrational assignments, spectroscopic investigation (FT-IR and FT-Raman), NBO, MEP, HOMO‒LUMO analysis and intermolecular hydrogen bonding interactions of 7-fluoroisatin, 7-bromoisatin and 1-methylisatin ‒ A comparative study

“…Additionally, the C=O in plane and out of plane bending vibrations are coupled with other vibrations and can be encountered in Tables 5, 6 and 7. The low frequency of C=O stretching can be due to the electron donating nature of the methyl group [67]. Also, when the hydrogen atom (H19) of methyl group interacts with the oxygen atom (O14), the intra-molecular hydrogen bond (H19…O14 = 2.49 Å) is formed.…”