Study of low-energy electron-induced dissociation of 1-propanol

The fragmentation of 1-propanol resulting from dissociative electron attachment has been explored across an energy range of 3.5-16 eV. Four distinct ion species are identified: H-, O-, OH-, and C3H7O-. The OH- ion exhibited a prominent peak near 8.7 eV, along with a small hump near 5.6 eV. Complementary channels led to the formation of the H- and C3H7O- ions. Both of these two ions exhibit a sharp peak near 6 eV and broad overlapping resonances between 7 and 12 eV. The observed ion yields of distinct dissociation fragments in this study, when compared with those from previously studied alcohols, suggest site-specific fragmentation of alcohols during dissociative electron attachment. To gain a deeper understanding of the dissociation pathways, density functional theory calculations were conducted, revealing the threshold energies for each channel. These threshold energies aligned well with the experimental uncertainties.

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Publication Details

Journal
The Journal of Chemical Physics
Published
2026-02-02
DOI
https://doi.org/10.1063/5.0305831
Primary Topic
Atomic and Molecular Physics
Type
article
Field-Weighted Citation Impact
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article

Study of low-energy electron-induced dissociation of 1-propanol

Dhananjay Nandi, Soumya Ghosh, Anirban Paul, Dipayan Chakraborty
The Journal of Chemical Physics
Atomic and Molecular Physics
article

Study of low-energy electron-induced dissociation of 1-propanol

Dhananjay Nandi, Soumya Ghosh, Anirban Paul, Dipayan Chakraborty
article en

Abstract

The fragmentation of 1-propanol resulting from dissociative electron attachment has been explored across an energy range of 3.5-16 eV. Four distinct ion species are identified: H-, O-, OH-, and C3H7O-. The OH- ion exhibited a prominent peak near 8.7 eV, along with a small hump near 5.6 eV. Complementary channels led to the formation of the H- and C3H7O- ions. Both of these two ions exhibit a sharp peak near 6 eV and broad overlapping resonances between 7 and 12 eV. The observed ion yields of distinct dissociation fragments in this study, when compared with those from previously studied alcohols, suggest site-specific fragmentation of alcohols during dissociative electron attachment. To gain a deeper understanding of the dissociation pathways, density functional theory calculations were conducted, revealing the threshold energies for each channel. These threshold energies aligned well with the experimental uncertainties.

The Journal of Chemical PhysicsVol. 164(5)
Indian Institute of Science Education and Research Kolkata (IN), Indian Institute of Technology Tirupati (IN), Indian Institute of Science Education and Research, Tirupati (IN)
Affordable and clean energy
Openalex Percentile: Top 67%
Atomic and Molecular Physics
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