Study of the electronic effect and quantitative spectra predictions of o -methoxyaniline-terminated monoazonaphthols: a combined experimental and DFT study

A combined experimental and density functional theory (DFT) study on the UV-Vis spectra of o -methoxyaniline-terminated mono azo dyes was conducted. By applying time-dependent-DFT calculations, details of excitation processes were determined and visualization by hole–electron analysis was undertaken...

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Veröffentlicht in:	RSC advances 2023-11, Vol.13 (48), p.33736-33742
Hauptverfasser:	Zhu, Guoxun, Lin, Yan, Zhou, Wenxian, Song, Huacan, Li, Zhengquan
Format:	Artikel
Sprache:	eng
Schlagworte:	Aromatic compounds Density functional theory Electron density Electronegativity NMR spectroscopy Spectra
Online-Zugang:	Volltext
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