Low-Energy Electron Interactions with Methyl-p-benzoquinone: A Study of Negative Ion Formation

Methyl-p-benzoquinone (MpBQ, CH<sub>3</sub>C<sub>6</sub>H<sub>3</sub>(=O)<sub>2</sub>) is a prototypical molecule in the study of quinones, which are compounds of relevance in biology and several redox reactions. Understanding the electron attachment properties of MpBQ and its ability to form anions is crucial in elucidating its role in these reactions. In this study, we investigate electron attachment to MpBQ employing a crossed electron-molecular beam experiment in the electron energy range of approximately 0 to 12 eV, as well as theoretical approaches using quantum chemical and electron scattering calculations. Six anionic species were identified: C<sub>7</sub>H<sub>6</sub>O<sub>2</sub> <sup>-</sup>, C<sub>7</sub>H<sub>5</sub>O<sub>2</sub> <sup>-</sup>, C<sub>6</sub>H<sub>5</sub>O<sup>-</sup>, C<sub>4</sub>HO<sup>-</sup>, C<sub>2</sub>H<sub>2</sub> <sup>-</sup>, and O<sup>-</sup>. The parent anion is formed most efficiently, with large cross sections, through two resonances at electron energies between 1 and 2 eV. Potential reaction pathways for all negative ions observed are explored, and the experimental appearance energies are compared with calculated thermochemical thresholds. Although exhibiting similar electron attachment properties to pBQ, MpBQ's additional methyl group introduces entirely new dissociative reactions, while quenching others, underscoring its distinctive chemical behavior.

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Journal
ACS Omega
Published
2024-08-26
DOI
https://doi.org/10.1021/acsomega.4c04899
Citations
3
Primary Topic
Ion-surface interactions and analysis
Type
article
Field-Weighted Citation Impact
1.12

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article

Low-Energy Electron Interactions with Methyl-p-benzoquinone: A Study of Negative Ion Formation

Andrzej Pelc, Stephan Denifl, João Ameixa, Fábris Kossoski et al.
3 citations
ACS Omega
Ion-surface interactions and analysis
1.12
article

Low-Energy Electron Interactions with Methyl-p-benzoquinone: A Study of Negative Ion Formation

Andrzej Pelc, Stephan Denifl, João Ameixa, Fábris Kossoski, Jiakuan Chen
article en
3 citations

Abstract

Methyl-p-benzoquinone (MpBQ, CH<sub>3</sub>C<sub>6</sub>H<sub>3</sub>(=O)<sub>2</sub>) is a prototypical molecule in the study of quinones, which are compounds of relevance in biology and several redox reactions. Understanding the electron attachment properties of MpBQ and its ability to form anions is crucial in elucidating its role in these reactions. In this study, we investigate electron attachment to MpBQ employing a crossed electron-molecular beam experiment in the electron energy range of approximately 0 to 12 eV, as well as theoretical approaches using quantum chemical and electron scattering calculations. Six anionic species were identified: C<sub>7</sub>H<sub>6</sub>O<sub>2</sub> <sup>-</sup>, C<sub>7</sub>H<sub>5</sub>O<sub>2</sub> <sup>-</sup>, C<sub>6</sub>H<sub>5</sub>O<sup>-</sup>, C<sub>4</sub>HO<sup>-</sup>, C<sub>2</sub>H<sub>2</sub> <sup>-</sup>, and O<sup>-</sup>. The parent anion is formed most efficiently, with large cross sections, through two resonances at electron energies between 1 and 2 eV. Potential reaction pathways for all negative ions observed are explored, and the experimental appearance energies are compared with calculated thermochemical thresholds. Although exhibiting similar electron attachment properties to pBQ, MpBQ's additional methyl group introduces entirely new dissociative reactions, while quenching others, underscoring its distinctive chemical behavior.

ACS OmegaVol. 9(36)
Centre National de la Recherche Scientifique (FR), Université Toulouse III - Paul Sabatier (FR), Maria Curie-Skłodowska University (PL), University of Potsdam (DE), Université Fédérale de Toulouse Midi-Pyrénées (FR), Universität Innsbruck (AT), Laboratoire de Chimie et Physique Quantiques (FR)
Austrian Science Fund
Affordable and clean energy
Openalex Percentile: Top 26%
Ion-surface interactions and analysis
1.12
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