Experimental and CIS, TD-DFT, ab initio calculations of visible spectra and the vibrational frequencies of sulfonyl azide-azoic dyes

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 72, Issue 2, 2009, Pages 369-377

  Teimouri, Abbas ^a   Chermahini, Alireza Najafi ^b   Taban, Keivan ^c   Dabbagh, Hossein A ^c  

^a PAYAME NOOR UNIVERSITY   (Iran)

^b YASOUJ UNIVERSITY   (Iran)

^c ISFAHAN UNIVERSITY OF TECHNOLOGY   (Iran)

Author keywords

Ab initio; Azo dyes; CIS; TD DFT; Vibrational frequencies; Visible spectra

Indexed keywords

AZO DYES; DENSITY FUNCTIONAL THEORY; EXPERIMENTS; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION; SULFUR COMPOUNDS; THEOREM PROVING; TIME VARYING SYSTEMS; WAVE FUNCTIONS;

AB INITIO; CIS; TD-DFT; VIBRATIONAL FREQUENCIES; VISIBLE SPECTRA;

INFRARED SPECTROSCOPY;

AZIDE; AZO COMPOUND; COLORING AGENT;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; METHODOLOGY; RAMAN SPECTROMETRY; VIBRATION;

AZIDES; AZO COMPOUNDS; COLORING AGENTS; MODELS, CHEMICAL; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; SPECTRUM ANALYSIS, RAMAN; VIBRATION;

EID: 58149178596     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2008.10.006     Document Type: Article

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