The research of the azo–hydrazone equilibrium by means of AM1 method based on the example of an azo dye – the Schäffer salt derivative
Source abstract
Abstract
Abstract An AM1 and ZINDO/S method, azo–hydrazone equilibrium of an azo dye (Schaffer acid derivative) and a model dye (2-naphthol derivative) were examined by means of quantum-chemical methods of calculations. Calculations performed for an isolated molecule (in vacuum) evidenced a higher stability of an azo form [A]. Hydration of dye molecule shows that a hydrazone form [H] is more stable in water solution. These researches confirm practical conclusions about the superiority or the exclusive occurrence of dyes in hydrazone form in real structures of o-hydroxyazo dyes.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Free Radicals and Antioxidants · Photochemistry and Electron Transfer Studies · Dyeing and Modifying Textile Fibers
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References (23)
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