Work

A new approach for the electrochemical characterization of water-insoluble azo dyes

Year: 2025

Type: article

Abstract: We present a novel approach for investigating water-insoluble dyes through the controlled charge/discharge of dye molecules. This method serves as an alternative means of registering the initial oxidation event required for the HOMO-LUMO transition in non-conductive media. Four dyes Methyl Red, Methyl Yellow, Sudan Black, and 1-(2-Pyridylazo)-2-naphthol were dissolved in DMSO and analyzed to determine their electrochemical oxidation and reduction potentials toward their broader applicability. In addition to calculating HOMO-LUMO energy levels from experimental data (UV-Vis spectroscopy and differential pulse voltammetry), we report, for the first time, the boundary orbital energies and ground-state equilibrium geometries of these dyes obtained by quantum chemical calculations at the B3LYP/6-311++G** theoretical level. The experimental and theoretical results are compared and discussed.

Source: Electrochimica Acta

DOI: 10.1016/j.electacta.2025.147708

Authors: Eleonora Hubenova, Mina Todorova, Vasil Delchev, Yolina Hubenova

Institutions: Plovdiv University, Bulgarian Academy of Sciences, Institute of Electrochemistry and Energy Systems

Language: English

Topic: Photochemistry and Electron Transfer Studies

Subfield: Physical and Theoretical Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: hybrid

Estimated APC paid: $3,790

Funders: Bulgarian National Science Fund, Ministry of Education and Science