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

We report results from a joint theoretical and experimental investigation into electron scattering from the important organic species phenol (C{sub 6}H{sub 5}OH). Specifically, differential cross sections (DCSs) have been measured and calculated for the electron-impact excitation of the electronic states of C{sub 6}H{sub 5}OH. The measurements were carried out at energies in the range 15–40 eV, and for scattered-electron angles between 10{sup ∘} and 90{sup ∘}. 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.
Authors:
 [1] ;  [2] ;  [2] ;  [1] ; ;  [3] ;  [1] ;  [2] ;  [1] ;  [2] ; ;  [4] ;  [5] ;  [6] ;  [7] ;
  1. School of Chemical and Physical Sciences, Flinders University, GPO Box 2100, Adelaide SA 5001 (Australia)
  2. (Brazil)
  3. Departamento de Física, UFJF, Juiz de Fora, Minas Gerais (Brazil)
  4. Instituto de Física “Gleb Wataghin,” Universidade Estadual de Campinas, 13083-859 Campinas, São Paulo (Brazil)
  5. Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, 09210-580 Santo André, São Paulo (Brazil)
  6. Instituto de Física, Universidade de São Paulo, CP 66318, 05315-970 São Paulo (Brazil)
  7. Departamento de Física, Universidade Federal do Paraná, CP 19044, 81531-990 Curitiba, Paraná (Brazil)
Publication Date:
OSTI Identifier:
22415503
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 142; Journal Issue: 10; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; 74 ATOMIC AND MOLECULAR PHYSICS; CONFIGURATION INTERACTION; DIFFERENTIAL CROSS SECTIONS; ELECTRONIC STRUCTURE; ELECTRON-MOLECULE COLLISIONS; ELECTRONS; ENERGY RESOLUTION; EV RANGE; EXCITATION; PHENOL; POLARIZATION; POTENTIALS; SCATTERING