Abstract

ABSTRACT Merocyanine 540 (M540) is famous dye that used in electronics and medicine. An important feature of the dye is asignificant intramolecular transfer of the electron density in the excited state. Experimentally was investigated theelectronic absorption and fluorescence spectra in different solvents M540. Electronic structure, spectra and rate constants of photo-physical processes of an isolat ed molecule and its complexes with water molecules were calculated by INDOmethod with spectroscopic parameterization. Analysis of the results allowed establishing the effect of individual fragments and hydrogen bonds with water on theelectronic charge transfer between the terminal units in the state S 1 . Examination of photo-physical processes of decomposition of the fluorescent st ate was showed that the intramol ecular processes of decay of the S 1 state are not the cause of the differences calculated and experimental fluorescence quantum yield. Consideration of trans-cis photo-isomerization leads to the elimin ation of this non-compliance. Keywords: Merocyanine 540, photo-physical pr ocesses, complexes with water, quantum-chemical calculations, trans-cis photo-isomerization

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