https://doi.org/10.1140/epjd/s10053-025-01074-y
Regular Article - Atoms, Molecules, Ions, and Clusters
Theoretical and experimental investigation of UV–Vis absorption spectra in plasma-activated water
1
Plasmas and Processing Laboratory, Aeronautics Institute of Technology, 12228-900, São José dos Campos, Brazil
2
Institut des Sciences
Analytiques et Physico-chimie pour l’environnement et les matériaux (IPREM), Universite de Pau et des Pays de l’Adour, CNRS, E2S UPPA, 64000, Pau, France
3
São Paulo State University, 17033-360, Bauru, Brazil
4
Department of Environment Engineering, Institute of Science and Technology, São Paulo State University, 12247-016, São José dos Campos, Brazil
a
nilton.azevedo@unesp.br
b
rspessoa@ita.br
Received:
10
June
2025
Accepted:
25
September
2025
Published online:
14
October
2025
This research comprehensively examines the physicochemical and optical properties of plasma-activated water (PAW) produced by a serially associated dielectric barrier discharge (DBD) and gliding arc plasma jet (GAPJ) system. Experimental UV–Vis spectroscopy identified prominent absorption bands attributed to reactive oxygen and nitrogen species (RONS) such as nitrite (NO2−), nitrate (NO3−), hydrogen peroxide (H2O2), nitrous acid (HNO2), and nitric acid (HNO3). To precisely interpret the complex and overlapping experimental spectra, density functional theory (DFT) simulations were utilized to model electronic transitions. These theoretical findings crucially revealed the influence of protonation on the optical features, showing blue-shifted bands for ionic species and red-shifted bands for their protonated forms.
Supplementary Information The online version contains supplementary material available at https://doi.org/10.1140/epjd/s10053-025-01074-y.
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© The Author(s), under exclusive licence to EDP Sciences, SIF and Springer-Verlag GmbH Germany, part of Springer Nature 2025
Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.
