Valéria Liberti, Pedro A S Randi, Márcio H F Bettega, Alessandra Souza Barbosa
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Resonances in Low-Energy Electron Collisions with Salicylic Acid.
In this work, we report elastic integral, differential, and momentum-transfer cross sections for the scattering of low-energy electrons by salicylic acid. The cross sections were calculated with the Schwinger multichannel method implemented with norm-conserving pseudopotential within the static-exchange and static-exchange plus polarization (SEP) approximations for energies up to 15 eV. In the SEP approximation, four π* resonances were found at around 0.023, 1.27, 3.60, and 6.80 eV. While the first three are shape resonances, the latter has a mixed shape and core-excited shape character. We compare our results with available measurements in the literature, and we also discuss the role of the second resonance in the production of [M-H]- and [M-H2]- species through dissociative electron attachment.
期刊介绍：
The Journal of Physical Chemistry A is devoted to reporting new and original experimental and theoretical basic research of interest to physical chemists, biophysical chemists, and chemical physicists.
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