Structural, spectroscopic characterization of (E)-4-chloro-2-((4-methoxybenzylidene)amino)phenol as potential antioxidant compound
JOURNAL OF MOLECULAR STRUCTURE, cilt.1127, ss.645-652, 2017 (SCI-Expanded, Scopus)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 1127
- Basım Tarihi: 2017
- Doi Numarası: 10.1016/j.molstruc.2016.08.029
- Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
- Sayfa Sayıları: ss.645-652
- Anahtar Kelimeler: Imine, X-ray and DFT molecular structure, IR, NMR and UV-Vis spectroscopy, Frontier molecular orbital analysis (FMOs), Antioxidant activity, COMPLEXES, SCALE
- Yozgat Bozok Üniversitesi Adresli: Evet
Özet
A new imine derivative, (E)-4-chloro-2-((4-methoxybenzylidene)amino)phenol has been synthesized from the reaction of 4-Anisaldehyde with benzoyl 2-Amino-4-chlorophenol. The results of a combined experimental and DFT investigations of the structural and spectroscopic properties of the title compound are given. The crystal and molecular investigations are performed by X-ray diffraction and spectral results obtained by IR, NMR and UV-Vis spectrometers. The structural geometry, vibration frequencies, H-1 and C-13 NMR chemical shifts, UV-Vis spectral analysis and HOMO LUMO of molecule in the ground state have been also calculated using the density functional theory (DFT) employing B3LYP exchange correlation with the 6-311G+(d, p) basis set, and check aganist the experimental data. The stability of antioxidant at different concentrations of compound are evaluated using 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical method and determined its specific absorbance properties. (C) 2016 Elsevier B.V. All rights reserved.