Experimental (FT-IR, FT-Raman and UV-Vis) spectra and theoretical DFT investigations of 2,3-diaminophenazine

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 96, Issue , 2012, Pages 401-412

  Sylvestre, S ^a   Sebastian, S ^b   Oudayakumar, K ^b   Jayavarthanan, T ^b   Sundaraganesan, N ^c  

^a Achariya Arts and Science College ^*  (India)

^b SRI MANAKULA VINAYAGAR ENGINEERING COLLEGE   (India)

^c ANNAMALAI UNIVERSITY   (India)

Author keywords

2,3 Diaminophenazine; NBO; NLO; TD DFT; Vibrational spectra

Indexed keywords

2 ,3-DIAMINOPHENAZINE; CHARGE TRANSFER INTERACTION; DENSITY-FUNCTIONAL METHODS; ELECTRON-DONATING GROUP; ELECTRON-RICH; EQUILIBRIUM GEOMETRIES; EXPERIMENTAL SPECTRA; FIRST ORDER; FT-RAMAN; HARMONIC VIBRATIONAL WAVENUMBERS; HF/6-31G; HYPER-POLARIZABILITY; MOLECULAR GEOMETRIES; MOLECULAR SYSTEMS; NBO; NLO; OSCILLATOR STRENGTHS; SIMULATED SPECTRA; SPECTROSCOPIC TECHNIQUE; STRETCHING MODES; TD-DFT; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; VIBRATIONAL ANALYSIS; XRD;

ACTIVATION ANALYSIS; CHARGE TRANSFER; MOLECULES; RAMAN SPECTROSCOPY; VIBRATIONAL SPECTRA;

DENSITY FUNCTIONAL THEORY;

2,3 DIAMINOPHENAZINE; 2,3-DIAMINOPHENAZINE; PHENAZINE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; INFRARED SPECTROSCOPY; KINETICS; QUANTUM THEORY; RAMAN SPECTROMETRY; STATIC ELECTRICITY; THERMODYNAMICS; ULTRAVIOLET SPECTROPHOTOMETRY; VIBRATION;

KINETICS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PHENAZINES; QUANTUM THEORY; SPECTROPHOTOMETRY, ULTRAVIOLET; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; STATIC ELECTRICITY; THERMODYNAMICS; VIBRATION;

EID: 84865404149     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2012.05.047     Document Type: Article

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