Determination of structural and vibrational spectroscopic properties of 2-, 3-, 4-nitrobenzenesulfonamide using FT-IR and FT-Raman experimental techniques and DFT quantum chemical calculations

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 85, Issue 1, 2012, Pages 261-270

  Karabacak, Mehmet ^a   Postalcilar, Emel ^a   Cinar, Mehmet ^a  

^a AFYON KOCATEPE UNIVERSITY   (Turkey)

Author keywords

2 , 3 , 4 Nitrobenzenesulfonamide; DFT; FT IR and FT Raman spectra

Indexed keywords

2-, 3-, 4-NITROBENZENESULFONAMIDE; BASIS SETS; DFT; DFT METHOD; EXCHANGE CORRELATIONS; EXPERIMENTAL TECHNIQUES; EXPERIMENTAL VALUES; FT-RAMAN; FTIR AND FT-RAMAN SPECTRA; FUNDAMENTAL VIBRATIONS; GEOMETRIC PARAMETER; MOLECULAR CONFORMATION; NITRO GROUP; OPTIMIZED STRUCTURES; QUANTUM CHEMICAL CALCULATIONS; RAMAN ACTIVITIES; RAMAN INTENSITIES; SCALED QUANTUM MECHANICS; SCATTERING THEORY; SPECTROSCOPIC PROPERTY; TOTAL ENERGY DISTRIBUTIONS; VIBRATIONAL ANALYSIS; VIBRATIONAL MODES; VIBRATIONAL WAVENUMBERS;

AMIDES; BENZENE; DENSITY FUNCTIONAL THEORY; QUANTUM CHEMISTRY; QUANTUM THEORY; RAMAN SCATTERING; SPECTROSCOPIC ANALYSIS; SULFUR COMPOUNDS;

VIBRATION ANALYSIS;

NITROBENZENE; NITROBENZENE DERIVATIVE; SULFONAMIDE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; INFRARED SPECTROSCOPY; QUANTUM THEORY; RAMAN SPECTROMETRY;

MODELS, MOLECULAR; NITROBENZENES; QUANTUM THEORY; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; SULFONAMIDES;

EID: 81155131283     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2011.10.003     Document Type: Article

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