FTIR and Raman spectra, DFT and normal coordinate computations of 2,4,5- and 2,4,6-tri-fluoroanilines

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 73, Issue 2, 2009, Pages 249-256

  Mukherjee, V ^a   Singh, N P ^a   Yadav, R A ^b  

^a UDAI PRATAP AUTONOMOUS COLLEGE   (India)

^b BANARAS HINDU UNIVERSITY   (India)

Author keywords

2,4,5 and 2,4,6 Tri fluoroanilines; Atomic charges; DFT and NCA; FTIR spectra; Geometrical parameters; PEDs; Raman spectra

Indexed keywords

2,4,5- AND 2,4,6-TRI-FLUOROANILINES; ATOMIC CHARGES; DFT AND NCA; FTIR SPECTRA; GEOMETRICAL PARAMETERS; PEDS; RAMAN SPECTRA;

ATOMS; DENSITY FUNCTIONAL THEORY; ELECTRIC POWER DISTRIBUTION; FLUORINE; FOURIER TRANSFORM INFRARED SPECTROSCOPY; GEOMETRY; MOLECULES; POLARIZATION; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; RAMAN SCATTERING; RAMAN SPECTROSCOPY;

ATOMIC SPECTROSCOPY;

ANILINE DERIVATIVE; CARCINOGEN;

ANIMAL; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; INFRARED SPECTROSCOPY; RAMAN SPECTROMETRY;

ANILINE COMPOUNDS; ANIMALS; CARCINOGENS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN;

EID: 67349203543     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2009.02.014     Document Type: Article

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