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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.

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DOI (Digital Object Identifier) Link: https://doi.org/10.1021/acs.jpca.7b11865
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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

Item Type: Journal Item
Copyright Holders: 2017 American Chemical Society
ISSN: 1089-5639
Academic Unit/School: Faculty of Science, Technology, Engineering and Mathematics (STEM) > Physical Sciences
Faculty of Science, Technology, Engineering and Mathematics (STEM)
Research Group: Physics
Item ID: 52851
Depositing User: Jimena Gorfinkiel
Date Deposited: 10 Jan 2018 13:09
Last Modified: 30 Jul 2019 16:19
URI: http://oro.open.ac.uk/id/eprint/52851
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