Insights into the C-Cl Bond Breaking in Epichlorohydrin Induced by Low Energy (<10 eV) Electrons

Epichlorohydrin is used as an intermediate for the synthesis of polymers and, more particularly, epoxy adhesives. The traditional process involves the cleavage of the carbon-chlorine bond in an alkaline solution. Here, we investigate the breakage of this bond induced by low-energy (<10 eV) electrons. We show the production of the chlorine anion via a resonant process at different energies. The experimental observations are completed by quantum chemistry calculations of the involved molecular orbitals in the formation of the precursor temporary anions, and their decay mechanisms are discussed in terms of the complex potential energy curve crossing network. The gained information may potentially contribute to a strategy of synthesis by other means where low-energy electrons are implicated, i.e., cold plasmas or even scanning tunnelling microscope for which the bond breakage can be controlled by the energy of the colliding electrons.

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Publication Details

Journal
Molecules
Published
2024-12-23
DOI
https://doi.org/10.3390/molecules29246051
Primary Topic
Mass Spectrometry Techniques and Applications
Type
article
Field-Weighted Citation Impact
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article

Insights into the C-Cl Bond Breaking in Epichlorohydrin Induced by Low Energy (<10 eV) Electrons

Franck Rabilloud, Hassan Abdoul‐Carime, Louisa Castel
Molecules
Mass Spectrometry Techniques and Applications
article

Insights into the C-Cl Bond Breaking in Epichlorohydrin Induced by Low Energy (<10 eV) Electrons

Franck Rabilloud, Hassan Abdoul‐Carime, Louisa Castel
article en

Abstract

Epichlorohydrin is used as an intermediate for the synthesis of polymers and, more particularly, epoxy adhesives. The traditional process involves the cleavage of the carbon-chlorine bond in an alkaline solution. Here, we investigate the breakage of this bond induced by low-energy (<10 eV) electrons. We show the production of the chlorine anion via a resonant process at different energies. The experimental observations are completed by quantum chemistry calculations of the involved molecular orbitals in the formation of the precursor temporary anions, and their decay mechanisms are discussed in terms of the complex potential energy curve crossing network. The gained information may potentially contribute to a strategy of synthesis by other means where low-energy electrons are implicated, i.e., cold plasmas or even scanning tunnelling microscope for which the bond breakage can be controlled by the energy of the colliding electrons.

MoleculesVol. 29(24)
Université Claude Bernard Lyon 1 (FR), Centre National de la Recherche Scientifique (FR), Institut de Physique (FR), Institut Lumière Matière (FR), Institut National de Physique Nucléaire et de Physique des Particules (FR)
Affordable and clean energy
Openalex Percentile: Top 81%
Mass Spectrometry Techniques and Applications
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