Elastic-electron-scattering from 1,2-ethylenediamine and dimethyldiazene
Departamento de Fsica, Universidade Federal do Paraná, Caixa Postal 19044, 81531-980 Curitiba, Paraná, Brazil
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Received in final form: 20 May 2020
Published online: 1 July 2020
We present elastic integral, differential and momentum transfer cross sections for scattering of electrons by 1,2-ethylenediamine (NH2C2H4NH2) and by dimethyldiazene (CH3N2CH3). The cross sections were computed with the Schwinger multichannel method implemented with norm-conserving pseudopotentials. The calculations were carried out in the static-exchange and static-exchange plus polarization approximations for energies up to 20 eV. We found the presence of a Ramsauer–Townsend minimum at around 0.38 eV in the integral cross section of 1,2-ethylenediamide and a π* shape resonance at around 1.0 eV in the integral cross section of dimethyldiazene, both cross sections computed in the static-exchange plus polarization approximation. In the static-exchange approximation the resonance is located at 3.5 eV. For dimethyldiazene we also employed an empirical scaling relation to estimate the vertical attachment energy and the value of 1.1 eV agree well with the position of the resonance of 1.0 eV obtained through the scattering calculation. We compare our results with recent calculations [G. L. C. de Souza, J. Electron Spectrosc. Relat. Phenom. 234, 64 (2019)] and found in general a very good agreement in the shape of the cross sections, but there are some discrepancies regarding their magnitude.
Key words: Atomic and Molecular Collisions
© EDP Sciences / Società Italiana di Fisica / Springer-Verlag GmbH Germany, part of Springer Nature, 2020