The neglected tautomerism in “Study of the electronic effect and quantitative spectra predictions of o-methoxyanilineterminated monoazonaphthols: a combined experimental and DFT study” by Guoxun Zhu, Yan Lin, Wenxian Zhou, Huacan Song and Zhengquan Li, RSC Advances, 2023, 13, 33736

02 February 2024, Version 2
This content is a preprint and has not undergone peer review at the time of posting.


In the paper of Zhu and co-workers, cited in the title, the authors derived a protocol for the absorption spectra prediction is sulphonated azo naphthols assuming that they exist as single azo tautomers. However, as shown by the available experimental data and the calculations, performed in this note, the studied dyes exist almost solely in hydrazone tautomeric form, which unavoidably affects the conclusions and linear relations made in the original paper.


azo dyes
optical spectroscopy

Supplementary materials

Supplementary Information
Optimized structures of the compounds and performance of the density functionals in describing the absorption maxima.


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