Published March 14, 2015 | Version v1
Journal article

Differential cross sections for electron impact excitation of the electronic bands of phenol

  • 1. Departamento de Física, UFJF, Juiz de Fora, Minas Gerais (Brazil)
  • 2. Instituto Federal do Sul de Minas Gerais, Campus Poços de Caldas, Minas Gerais (Brazil)
  • 3. School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide SA 5001 (Australia)
  • 4. Universidade Federal de Mato Grosso, Barra do Garças, Mato Grosso (Brazil)
  • 5. Instituto de Física "Gleb Wataghin," Universidade Estadual de Campinas, 13083-859 Campinas, São Paulo (Brazil)
  • 6. Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, 09210-580 Santo André, São Paulo (Brazil)
  • 7. Instituto de Física, Universidade de São Paulo, CP 66318, 05315-970 São Paulo (Brazil)
  • 8. Departamento de Física, Universidade Federal do Paraná, CP 19044, 81531-990 Curitiba, Paraná (Brazil)

Description

We report results from a joint theoretical and experimental investigation into electron scattering from the important organic species phenol (C6H5OH). Specifically, differential cross sections (DCSs) have been measured and calculated for the electron-impact excitation of the electronic states of C6H5OH. The measurements were carried out at energies in the range 15–40 eV, and for scattered-electron angles between 10 and 90. The energy resolution of those experiments was typically ∼80 meV. Corresponding Schwinger multichannel method with pseudo-potentials calculations, with and without Born-closure, were also performed for a sub-set of the excited electronic-states that were accessed in the measurements. Those calculations were conducted at the static exchange plus polarisation (SEP)-level using a minimum orbital basis for single configuration interaction (MOBSCI) approach. Agreement between the measured and calculated DCSs was typically fair, although to obtain quantitative accord, the theory would need to incorporate even more channels into the MOBSCI

Additional details

Identifiers

Publishing Information

Journal Title
Journal of Chemical Physics
Journal Volume
142
Journal Issue
10
Journal Page Range
p. 104305-104305.11
ISSN
0021-9606
CODEN
JCPSA6

Optional Information

Notes
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