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Recent research directions in Fribourg: Nuclear dynamics in resonances revealed by 2-dimensional EEL spectra, electron collisions with ionic liquids and electronic excitation of pyrimidine

Type of publication Peer-reviewed
Publikationsform Original article (peer-reviewed)
Publication date 2016
Author Allan Michael, Regeta Khrystyna, Gorfinkiel Jimena D., Mašín Zdeněk, Grimme Stefan , Bannwarth Christoph,
Project Chemical and Physical Processes from Electron-Molecule Interactions
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Original article (peer-reviewed)

Journal European Physical Journal D
Volume (Issue) 70
Page(s) 123
Title of proceedings European Physical Journal D
DOI 10.1140/epjd/e2016-70153-2

Open Access


The article briefly reviews three subjects recently investigated in Fribourg: (i) electron collisions with surfaces of ionic liquids, (ii) two-dimensional (2D) electron energy loss spectra and (iii) resonances in absolute cross sections for electronic excitation of unsaturated compounds. Electron energy loss spectra of four ionic liquids revealed a number of excited states, including triplet states. A solution of a dye in an ionic liquid showed an energy-loss band of the solute, but not in all ionic liquids. 2D spectra reveal state-to-state information (given resonance to given final state) and are shown to be an interesting means to gain insight into dynamics of nuclear motion in resonances. Absolute cross sections for pyrimidine are reported as a function of scattering angle and as a function of electron energy. They reveal resonant structure which was reproduced very nicely by R-matrix calculations. The calculation provided an assignment of the resonances which reveals common patterns in compounds containing double bonds.