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Published on: July 27, 2018
Electron collisions with furan
1Departamento de Física, Universidade Federal do Paraná, Caixa Postal 19044, 81531-990 Curitiba, Paraná, Brazil. bettega@fisica.ufpr.br
This study details electron scattering by furan (C4H4O) molecules, identifying two key shape resonances. These findings align with experimental data on electron attachment energies.
Area of Science:
- Physical Chemistry
- Atomic and Molecular Physics
- Quantum Scattering Theory
Background:
- Low-energy electron scattering is crucial for understanding molecular interactions and electronic structures.
- Furan (C4H4O) is a heterocyclic organic compound with relevance in various chemical processes.
Purpose of the Study:
- To calculate integral, differential, and momentum transfer cross sections for elastic electron scattering by furan.
- To identify and characterize shape resonances in the electron-furan scattering process.
Main Methods:
- Employed the Schwinger multichannel method with pseudopotentials.
- Performed calculations using static-exchange and static-exchange plus polarization approximations.
Main Results:
- Identified two shape resonances in furan at approximately 2.1 eV (B(1) symmetry) and 4.2 eV (A(2) symmetry).
- Calculated cross sections for elastic electron scattering.
Conclusions:
- The calculated resonance positions and characteristics are consistent with experimental measurements of vertical electron attachment energies.
- The study provides valuable theoretical data for electron-furan interactions.
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