We report theoretical and experimental total cross sections for electron scattering by phenol (C6H5OH). The experimental data were obtained with an apparatus based in Madrid and the calculated cross sections with two different methodologies, the independent atom method with screening corrected additivity rule (IAM-SCAR), and the Schwinger multichannel method with pseudopotentials (SMCPP). The SMCPP method in the Nopen-channel coupling scheme, at the static-exchange-plus-polarization approximation, is employed to calculate the scattering amplitudes at impact energies ranging from 5.0 eV to 50 eV. We discuss the multichannel coupling effects in the calculated cross sections, in particular how the number of excited states included in the open-channel space impacts upon the convergence of the elastic cross sections at higher collision energies. The IAM-SCAR approach was also used to obtain the elastic differential cross sections (DCSs) and for correcting the experimental total cross sections for the so-called forward angle scattering effect. We found a very good agreement between our SMCPP theoretical differential, integral, and momentum transfer cross sections and experimental data for benzene (a molecule differing from phenol by replacing a hydrogen atom in benzene with a hydroxyl group). Although some discrepancies were found for lower energies, the agreement between the SMCPP data and the DCSs obtained with the IAM-SCAR method improves, as expected, as the impact energy increases. We also have a good agreement among the present SMCPP calculated total cross section (which includes elastic, 32 inelastic electronic excitation processes and ionization contributions, the latter estimated with the binary-encounter-Bethe model), the IAM-SCAR total cross section, and the experimental data when the latter is corrected for the forward angle scattering effect [Fuss et al., Phys. Rev. A 88, 042702 (2013)].
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14 March 2015
Research Article|
March 10 2015
Electron collisions with phenol: Total, integral, differential, and momentum transfer cross sections and the role of multichannel coupling effects on the elastic channel
Romarly F. da Costa;
Romarly F. da Costa
1Instituto de Física “Gleb Wataghin,”
Universidade Estadual de Campinas
, 13083-859 Campinas, São Paulo, Brazil
2Centro de Ciências Naturais e Humanas,
Universidade Federal do ABC
, 09210-580 Santo André, São Paulo, Brazil
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Eliane M. de Oliveira;
Eliane M. de Oliveira
1Instituto de Física “Gleb Wataghin,”
Universidade Estadual de Campinas
, 13083-859 Campinas, São Paulo, Brazil
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Márcio H. F. Bettega;
Márcio H. F. Bettega
3Departamento de Física,
Universidade Federal do Paraná
, CP 19044, 81531-990 Curitiba, Paraná, Brazil
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Márcio T. do N. Varella;
Márcio T. do N. Varella
4Instituto de Física,
Universidade de São Paulo
, CP 66318, 05315-970 São Paulo, São Paulo, Brazil
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Darryl B. Jones;
Darryl B. Jones
5School of Chemical and Physical Sciences,
Flinders University
, GPO Box 2100, Adelaide SA 5001, Australia
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Michael J. Brunger;
Michael J. Brunger
5School of Chemical and Physical Sciences,
Flinders University
, GPO Box 2100, Adelaide SA 5001, Australia
6Institute of Mathematical Sciences,
University of Malaya
, 50603 Kuala Lumpur, Malaysia
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Francisco Blanco;
Francisco Blanco
7Departamento de Fisica Atomica, Molecular y Nuclear,
Universidad Complutense de Madrid
, Ciudad Universitaria, 2840 Madrid, Spain
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Rafael Colmenares;
Rafael Colmenares
8
Hospital Ramón y Cajal
, 28034 Madrid, Spain
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Paulo Limão-Vieira;
Paulo Limão-Vieira
9Laboratório de Colisões Atómicas e Moleculares, CEFITEC, Departamento de Física, Faculdade de Ciências e Tecnologia,
Universidade Nova de Lisboa
, 2829-516 Caparica, Portugal
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Gustavo García;
Gustavo García
10
Instituto de Fisica Fundamental
, CSIC, Serrano 113-bis, 28006 Madrid, Spain
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Marco A. P. Lima
Marco A. P. Lima
1Instituto de Física “Gleb Wataghin,”
Universidade Estadual de Campinas
, 13083-859 Campinas, São Paulo, Brazil
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Romarly F. da Costa
1,2
Eliane M. de Oliveira
1
Márcio H. F. Bettega
3
Márcio T. do N. Varella
4
Darryl B. Jones
5
Michael J. Brunger
5,6
Francisco Blanco
7
Rafael Colmenares
8
Paulo Limão-Vieira
9
Gustavo García
10
Marco A. P. Lima
1
1Instituto de Física “Gleb Wataghin,”
Universidade Estadual de Campinas
, 13083-859 Campinas, São Paulo, Brazil
2Centro de Ciências Naturais e Humanas,
Universidade Federal do ABC
, 09210-580 Santo André, São Paulo, Brazil
3Departamento de Física,
Universidade Federal do Paraná
, CP 19044, 81531-990 Curitiba, Paraná, Brazil
4Instituto de Física,
Universidade de São Paulo
, CP 66318, 05315-970 São Paulo, São Paulo, Brazil
5School of Chemical and Physical Sciences,
Flinders University
, GPO Box 2100, Adelaide SA 5001, Australia
6Institute of Mathematical Sciences,
University of Malaya
, 50603 Kuala Lumpur, Malaysia
7Departamento de Fisica Atomica, Molecular y Nuclear,
Universidad Complutense de Madrid
, Ciudad Universitaria, 2840 Madrid, Spain
8
Hospital Ramón y Cajal
, 28034 Madrid, Spain
9Laboratório de Colisões Atómicas e Moleculares, CEFITEC, Departamento de Física, Faculdade de Ciências e Tecnologia,
Universidade Nova de Lisboa
, 2829-516 Caparica, Portugal
10
Instituto de Fisica Fundamental
, CSIC, Serrano 113-bis, 28006 Madrid, Spain
J. Chem. Phys. 142, 104304 (2015)
Article history
Received:
December 23 2014
Accepted:
February 18 2015
Connected Content
A companion article has been published:
Differential cross sections for electron impact excitation of the electronic bands of phenol
Citation
Romarly F. da Costa, Eliane M. de Oliveira, Márcio H. F. Bettega, Márcio T. do N. Varella, Darryl B. Jones, Michael J. Brunger, Francisco Blanco, Rafael Colmenares, Paulo Limão-Vieira, Gustavo García, Marco A. P. Lima; Electron collisions with phenol: Total, integral, differential, and momentum transfer cross sections and the role of multichannel coupling effects on the elastic channel. J. Chem. Phys. 14 March 2015; 142 (10): 104304. https://doi.org/10.1063/1.4913824
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