An infrared and resonance Raman spectroscopic study of phenylazonaphthol pigments

Spectrochim Acta A Mol Biomol Spectrosc. 2006 Jul;64(4):891-900. doi: 10.1016/j.saa.2005.08.019. Epub 2006 Feb 3.

Abstract

The IR, resonance Raman (RR) and electronic spectra of two phenylazonaphthol pigments, LRC Scarlet and 4BL Red, have been measured and assignments of the vibrational and electronic spectra were facilitated by ab initio calculation s at the B3-LYP/DZ level. Vibrational spectra indicate that the major species in the solid state are the hydrazo tautomers. Electronic spectra are in accordance with the nature of the electronic transitions predicted by time-dependent B3-LYP/DZ calculations.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Coloring Agents / chemistry
  • Electrons
  • Models, Chemical
  • Models, Molecular
  • Naphthols / chemistry*
  • Pigmentation
  • Software
  • Spectrophotometry, Infrared / methods*
  • Spectrum Analysis, Raman / methods*

Substances

  • Coloring Agents
  • Naphthols
  • 1-phenylazo-2-naphthol