What is it about?

Low aqueous solubility of disperse dyes has limited their range of application with serious economic and environmental consequences. We have shown in this work that systematic structural modification of azo disperse dyes can significantly improve their aqueous solubility, light absorption properties and degradation tendencies.

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Why is it important?

This work has theoretically produced new set of azo disperse dyes with enhanced solubility, light absorption properties and degradation probabilities. The new set of dyes are promising candidates for a wider range of application including textile dyeing, solar cells sensitizers, LCDs, metallochromic indicators, printing etc.

Perspectives

Writing this publication was a great and interesting experience. Findings were nicely presented and discussed in an easy to understand manner, something that is not common to computational papers. I hope readers find this work exciting and benefit immensely from the indebtly discussed results.

Olaide Wahab
University of Johannesburg

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This page is a summary of: Tuning the aqueous solubility, chemical reactivity and absorption wavelength of azo dye through systematic adjustment of molecular charge density: a DFT study, Molecular Physics, June 2019, Taylor & Francis, DOI: 10.1080/00268976.2019.1626508.
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