https://doi.org/10.1140/epjd/s10053-025-01049-z
Regular Article - - Atoms, Molecules, Ions, and Clusters
Study on the dissociation properties and spectra of ethylene glycol under an external electric field
1
State Key Laboratory Cultivation Base of Atmospheric Optoelectronic Detection and Information Fusion, Nanjing University of Information Science & Technology, 210044, Nanjing, China
2
Key Lab of Modern Optical Technologies of Jiangsu Province, Soochow University, 215006, Suzhou, China
a
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Received:
11
June
2025
Accepted:
8
August
2025
Published online:
29
August
2025
Ethylene glycol (EG) is widely applied in various fields. However, it is toxic and poses hazards to human health and the environment. This study employed density functional theory (DFT) with the B3LYP/6-31G + (d, p) basis set to investigate the physicochemical properties of the EG molecule under external electric fields. Key properties analyzed include total energy, bond lengths, dipole moment, infrared (IR) spectra, tunneling effects, Raman spectra and UV–vis (Ultraviolet–Visible) spectra. Furthermore, the degradation of EG under electric fields was studied based on potential energy curves. The research reveals the mechanisms governing the effects of external electric fields on EG’s structure, spectral characteristics, and dissociation pathways, providing a theoretical basis for EG pollution control.
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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.
