Work

Dissociation of gas-phase anisole induced by low-energy electron interactions: understanding patterns of aromatic bond cleavage

Year: 2025

Type: article

Abstract: In view of elucidating the fragmentation patterns of aromatic systems induced by low-energy electron interactions, dissociative electron attachment (DEA) to gas-phase anisole was performed. Anionic fragments resulting from this DEA process were detected by a quadrupole mass spectrometer, and ion yields of those fragments as a function of incident electron energy were rendered. Our study showed the formation of CH3 −, HCC−, and OCH3 − fragments, suggesting that various dissociation channels proceed out of DEA to anisole. We employed density functional theory to compute thermodynamic threshold energies for each potential dissociation channel. Those theoretical calculations supported the prediction that the CH3 −and OCH3 −fragments form via mechanisms of single-bond cleavage; the HCC−fragments may form through two-, three-, or four-body dissociation channels that entail hydrogen transfers and the cleavage of multiple aromatic bonds. The experimental resonance energies that form the CH3 −, HCC−, and OCH3 −fragments were 6.0 eV, 5.8 and 9.7 eV, and 9.8 eV, respectively. Given the classification of anisole as a monosubstituted aromatic species, our results explain generalizable patterns of electron-mediated dissociation in aromatic systems.

Source: Physica Scripta

DOI: 10.1088/1402-4896/adb8a9

Authors: Jacob Finley, Giorgi Kharchilava, Ian Carmichael, Dipayan Chakraborty, Sylwia Ptasinska

Institution: University of Notre Dame

Language: English

Topic: Atomic and Molecular Physics

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: hybrid

Estimated APC paid: $2,400

Funder: Basic Energy Sciences