A comparative study of selected disperse azo dye derivatives based on spectroscopic (FT-IR, NMR and UV-Vis) and nonlinear optical behaviors
Küçük Resim Yok
Tarih
2014
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
In the present work, a combined experimental and quantum chemical study on ground state equilibrium structure, spectroscopic and nonlinear optical properties of selected disperse azo dye molecules are reported. The vibrational transitions were identified based on the recorded FT-IR spectra in the range of 4000-400 cm-1 for solid state, simulated IR spectra and total energy distribution (TED) of vibrational modes. The chemical shifts were determined from the results of observed 1H and 13C NMR spectra in chloroform and dimethylsulfoxide solution. The DFT/gauge-invariant atomic orbital (GIAO) methodology was applied to predict the magnetic properties. Electronic properties were carried out by UV-Vis spectroscopy and TD-DFT/CIS approach. The nonlinear optical (NLO) features were addressed theoretically. A detailed description of spectroscopic and NLO behaviors of studied disperse azo dyes was reported with the help of comparison of experimental measurements and theoretical calculations. © 2013 Elsevier B.V. All rights reserved.
Açıklama
Anahtar Kelimeler
Disperse azo dyes, FT-IR, NLO, NMR, Quantum chemical calculations, UV-Vis, Disperse azo dye, FT-IR, NLO, Quantum chemical calculations, UV-Vis, Electronic properties, Nonlinear optics, Nuclear magnetic resonance, Nuclear magnetic resonance spectroscopy, Quantum chemistry, Ultraviolet visible spectroscopy, Azo dyes, azo compound, coloring agent, article, chemistry, comparative study, Disperse azo dyes, FT-IR, infrared spectroscopy, NLO, nuclear magnetic resonance, nuclear magnetic resonance spectroscopy, Quantum chemical calculations, ultraviolet spectrophotometry, UV-Vis, Disperse azo dyes, FT-IR, NLO, NMR, Quantum chemical calculations, UV-Vis, Azo Compounds, Coloring Agents, Magnetic Resonance Spectroscopy, Spectrophotometry, Ultraviolet, Spectroscopy, Fourier Transform Infrared, Disperse azo dyes, FT-IR, NLO, NMR, Quantum chemical calculations, UV-Vis, Disperse azo dye, FT-IR, NLO, Quantum chemical calculations, UV-Vis, Electronic properties, Nonlinear optics, Nuclear magnetic resonance, Nuclear magnetic resonance spectroscopy, Quantum chemistry, Ultraviolet visible spectroscopy, Azo dyes, azo compound, coloring agent, article, chemistry, comparative study, Disperse azo dyes, FT-IR, infrared spectroscopy, NLO, nuclear magnetic resonance, nuclear magnetic resonance spectroscopy, Quantum chemical calculations, ultraviolet spectrophotometry, UV-Vis, Disperse azo dyes, FT-IR, NLO, NMR, Quantum chemical calculations, UV-Vis, Azo Compounds, Coloring Agents, Magnetic Resonance Spectroscopy, Spectrophotometry, Ultraviolet, Spectroscopy, Fourier Transform Infrared
Kaynak
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
WoS Q Değeri
Q2
Scopus Q Değeri
Q2
Cilt
122
