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Updated: Aug 17, 2026

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
Published on: May 27, 2020
Absolute electronic excitation cross sections for low-energy electron (5-12 eV) scattering from condensed thymine
P L Levesque1, M Michaud, W Cho
1Groupe en Sciences des Radiations, Faculté de Médecine, Université de Sherbrooke, Sherbrooke, Québec J1H 5N4, Canada. Pierre.Levesque@USherbrooke.ca
Abstract:
The absolute cross sections for electronic excitations of thymine by electron impact between 5 and 12 eV are determined by means of electron-energy loss (EEL) spectroscopy for the molecule deposited at submonolayer coverage on an inert Ar substrate. The lowest EEL features at 3.7 and 4.0 eV are attributed to the excitation of the triplet 1 3A'(pi --> pi*) and 1 3A''(n --> pi*) valence states of the molecule. The higher EEL features located at 4.9, 6.3, 7.3, and 9 eV with a weak shoulder around 6 eV are ascribed mostly to triplet valence (pi --> pi*) excitation manifold of the molecule. The energy dependence of the cross section for both the lowest triplet valence excitations shows essentially a peak at about 5 eV reaching a value of 2.9 x 10(-17) cm2. The cross sections for the higher EEL features are generally characterized by a common broad maximum around 8 eV. The latter reaches a value of 1.36 x 10(-16) cm2 for the combined 6 and 6.3 eV excitation region. The maxima in the present cross sections are found to correspond to the resonances that have been reported at about the same energies in the O- yield from electron impact on thymine in the gas phase.
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