Shape and Core-Excited Resonances in Thiophene

Loupas, Alexandra; Regeta, Khrystyna; Allan, Michael and Gorfinkiel, Jimena D. (2018). Shape and Core-Excited Resonances in Thiophene. The Journal of Physical Chemistry A, 122(4) pp. 1146–1155.

DOI: https://doi.org/10.1021/acs.jpca.7b11865

Abstract

We present a comprehensive study of resonance formation in electron collisions with thiophene. Detailed calculations have been performed using the ab initio R-matrix method. Three shape resonances previously described, two of π* character and one σ*, as well as a number of resonances of core-excited or mixed character are identified and characterized. Differential cross sections for electron impact excitation up to 18~eV and for two scattering angles, 90° and 135°, are measured. The measured cross sections provide experimental confirmation for a number of the core-excited resonances. The link between these resonances and prior DEA experiments is discussed

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