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

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

Sayı

Künye