FT-IR, FT-Raman and quantum chemical calculations of (E)-N-carbamimidoyl-4- ((3,4-dimethoxybenzylidene) amino) benzenesulfonamide

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 84, Issue 1, 2011, Pages 156-163

  Chandran, Asha ^a   Varghese, Hema Tresa ^b   Panicker, C Yohannan ^a,c   Manojkumar, T K ^d   Van Alsenoy, Christian ^e   Rajendran, G ^f  

^a TKM COLLEGE OF ARTS AND SCIENCE   (India)

^b FATIMA MATA NATIONAL COLLEGE   (India)

^c MAR IVANIOS COLLEGE   (India)

^d INDIAN INSTITUTE OF INFORMATION TECHNOLOGY AND MANAGEMENT KERALA   (India)

^e UNIVERSITY OF ANTWERP   (Belgium)

^f DEPARTMENT OF CHEMISTRY   (India)

Author keywords

DFT calculations; Hyperpolarizability; PED; Sulfonamide

Indexed keywords

B3LYP METHOD; DFT CALCULATION; FIRST HYPERPOLARIZABILITIES; FT-RAMAN; FTIR AND FT-RAMAN SPECTRA; GEOMETRICAL PARAMETERS; HF/6-31G; HYPER-POLARIZABILITY; PED; QUANTUM CHEMICAL CALCULATIONS; STRUCTURAL PARAMETER; SULFONAMIDE; TITLE COMPOUNDS; VIBRATIONAL BANDS; VIBRATIONAL WAVENUMBERS; WAVE NUMBERS;

QUANTUM CHEMISTRY; RAMAN SPECTROSCOPY; SULFUR COMPOUNDS;

CHEMICAL ANALYSIS;

(E) N CARBAMIMIDOYL 4 ((3,4 DIMETHOXYBENZYLIDENE)AMINO)BENZENESULFONAMIDE; (E)-N-CARBAMIMIDOYL-4-((3,4-DIMETHOXYBENZYLIDENE)AMINO)BENZENESULFONAMIDE; BENZENESULFONAMIDE; BENZYLIDENE DERIVATIVE; SULFONAMIDE;

ARTICLE; CHEMISTRY; CONFORMATION; INFRARED SPECTROSCOPY; MECHANICAL TORSION; QUANTUM THEORY; RAMAN SPECTROMETRY; THERMODYNAMICS; VIBRATION;

BENZYLIDENE COMPOUNDS; MOLECULAR CONFORMATION; QUANTUM THEORY; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; SULFONAMIDES; THERMODYNAMICS; TORSION, MECHANICAL; VIBRATION;

EID: 80054905476     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2011.09.023     Document Type: Article

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