Spectroscopic and structural elucidation of merocyanine dye 2,5-[1-metyl-4-[2-(4-hydroxyphenyl)ethenyl)]piridinium]-hexane tetraphenylborate aggregation processes

Spectrochim Acta A Mol Biomol Spectrosc. 2008 Dec 1;71(3):847-53. doi: 10.1016/j.saa.2008.02.036. Epub 2008 Mar 4.

Abstract

Structural and spectroscopic elucidation of merocyanine dye, 2,5-[1-metyl-4-[2-(4-hydroxyphenyl)ethenyl)]piridinium]-hexane tetraphenylborate, is performed in gas and condense phase by means of solution and solid-state conventional and linear-polarized IR-spectroscopy of oriented colloids in nematic liquid crystal suspension, UV-vis and fluorescence methods, HPLC MS/MS tandem and ESI mass spectrometry, (1)H, (13)C and (1)H-(1)H COSY NMR, TGV and DSC methods. Quantum chemical DFT calculations are performed for structural optimization and spectroscopic properties prediction.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Chromatography, High Pressure Liquid
  • Dimerization
  • Magnetic Resonance Spectroscopy
  • Molecular Structure
  • Pyrimidinones / chemical synthesis
  • Pyrimidinones / chemistry*
  • Quantum Theory
  • Spectrometry, Fluorescence
  • Spectrometry, Mass, Electrospray Ionization
  • Spectrophotometry
  • Spectrophotometry, Infrared
  • Spectrophotometry, Ultraviolet
  • Tandem Mass Spectrometry
  • Thermodynamics

Substances

  • Pyrimidinones
  • merocyanine dye