Spectral studies and molecular orbital PPP-calculations of some azo-dyes

Faculty Science Year: 2002
Type of Publication: Article Pages: 2765-2769
Authors:
ISSA, YM, DESSOUKI, HA, SHALABI, AS, Ahmed, IS
DOI: 10.1016/S1386-1425(02)00023-9
Journal: SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY PERGAMON-ELSEVIER SCIENCE LTD Volume: 58
Research Area: Spectroscopy ISSN ISI:000178161200024
Keywords : phenylazo compounds, PPP-models, spectrophotometrics, electron densities, ionization potential    
Abstract:
The UV, IR and H-1-NMR spectra of some 4-(R-phenyl azo) 1-hydroxy 2-naphthoic acid derivatives are studied. The effects of substituent groups and the solvent polarity on electronic spectral, IR bands and H-1-NMR proton chemical shifts are considered, the molecular orbital calculations obtained are rationalized quantitatively with that obtained practically using the PPP-model with configuration interaction (CI). (C) 2002 Elsevier Science B.V. All rights reserved.
    
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