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Title: Intermediate energy electron impact excitation of composite vibrational modes in phenol

Abstract

We report differential cross section results from an experimental investigation into the electron impact excitation of a number of the low-lying composite (unresolved) vibrational modes in phenol (C{sub 6}H{sub 5}OH). The measurements were carried out at incident electron energies in the range 15–40 eV and for scattered-electron angles in the range 10–90°. The energy resolution of those measurements was typically ∼80 meV. Calculations, using the GAMESS code, were also undertaken with a B3LYP/aug-cc-pVDZ level model chemistry, in order to enable us to assign vibrational modes to the features observed in our energy loss spectra. To the best of our knowledge, the present cross sections are the first to be reported for vibrational excitation of the C{sub 6}H{sub 5}OH molecule by electron impact.

Authors:
 [1];  [2];  [2];  [1]; ;  [3]; ;  [4];  [5];  [6];  [7];  [8];  [1];  [9]
  1. School of Chemical and Physical Sciences, Flinders University, G.P.O. Box 2100, Adelaide, SA 5001 (Australia)
  2. (Brazil)
  3. Departamento de Física, Universidade Federal de Juiz de Fora, 36036-900, 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, C.P. 66318, 05315-970 São Paulo (Brazil)
  7. Departamento de Física, Universidade Federal do Paraná, C.P. 19044, 81531-990 Curitiba, Paraná (Brazil)
  8. Universidade Federal de Mato Grosso, Barra do Garças, Mato Grosso (Brazil)
  9. (Malaysia)
Publication Date:
OSTI Identifier:
22415796
Resource Type:
Journal Article
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 142; Journal Issue: 19; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0021-9606
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; CHEMISTRY; DIFFERENTIAL CROSS SECTIONS; ELECTRONS; ENERGY RESOLUTION; ENERGY-LOSS SPECTROSCOPY; EV RANGE; EXCITATION; MOLECULES; PHENOL

Citation Formats

Neves, R. F. C., Instituto Federal do Sul de Minas Gerais, Campus Poços de Caldas, Minas Gerais, Departamento de Física, Universidade Federal de Juiz de Fora, 36036-900, Juiz de Fora, Minas Gerais, Jones, D. B., Lopes, M. C. A., Nixon, K. L., Oliveira, E. M. de, Lima, M. A. P., Costa, R. F. da, Varella, M. T. do N., Bettega, M. H. F., Silva, G. B. da, Brunger, M. J., E-mail: Michael.Brunger@flinders.edu.au, and Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur. Intermediate energy electron impact excitation of composite vibrational modes in phenol. United States: N. p., 2015. Web. doi:10.1063/1.4921038.
Neves, R. F. C., Instituto Federal do Sul de Minas Gerais, Campus Poços de Caldas, Minas Gerais, Departamento de Física, Universidade Federal de Juiz de Fora, 36036-900, Juiz de Fora, Minas Gerais, Jones, D. B., Lopes, M. C. A., Nixon, K. L., Oliveira, E. M. de, Lima, M. A. P., Costa, R. F. da, Varella, M. T. do N., Bettega, M. H. F., Silva, G. B. da, Brunger, M. J., E-mail: Michael.Brunger@flinders.edu.au, & Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur. Intermediate energy electron impact excitation of composite vibrational modes in phenol. United States. doi:10.1063/1.4921038.
Neves, R. F. C., Instituto Federal do Sul de Minas Gerais, Campus Poços de Caldas, Minas Gerais, Departamento de Física, Universidade Federal de Juiz de Fora, 36036-900, Juiz de Fora, Minas Gerais, Jones, D. B., Lopes, M. C. A., Nixon, K. L., Oliveira, E. M. de, Lima, M. A. P., Costa, R. F. da, Varella, M. T. do N., Bettega, M. H. F., Silva, G. B. da, Brunger, M. J., E-mail: Michael.Brunger@flinders.edu.au, and Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur. Thu . "Intermediate energy electron impact excitation of composite vibrational modes in phenol". United States. doi:10.1063/1.4921038.
@article{osti_22415796,
title = {Intermediate energy electron impact excitation of composite vibrational modes in phenol},
author = {Neves, R. F. C. and Instituto Federal do Sul de Minas Gerais, Campus Poços de Caldas, Minas Gerais and Departamento de Física, Universidade Federal de Juiz de Fora, 36036-900, Juiz de Fora, Minas Gerais and Jones, D. B. and Lopes, M. C. A. and Nixon, K. L. and Oliveira, E. M. de and Lima, M. A. P. and Costa, R. F. da and Varella, M. T. do N. and Bettega, M. H. F. and Silva, G. B. da and Brunger, M. J., E-mail: Michael.Brunger@flinders.edu.au and Institute of Mathematical Sciences, University of Malaya, 50603 Kuala Lumpur},
abstractNote = {We report differential cross section results from an experimental investigation into the electron impact excitation of a number of the low-lying composite (unresolved) vibrational modes in phenol (C{sub 6}H{sub 5}OH). The measurements were carried out at incident electron energies in the range 15–40 eV and for scattered-electron angles in the range 10–90°. The energy resolution of those measurements was typically ∼80 meV. Calculations, using the GAMESS code, were also undertaken with a B3LYP/aug-cc-pVDZ level model chemistry, in order to enable us to assign vibrational modes to the features observed in our energy loss spectra. To the best of our knowledge, the present cross sections are the first to be reported for vibrational excitation of the C{sub 6}H{sub 5}OH molecule by electron impact.},
doi = {10.1063/1.4921038},
journal = {Journal of Chemical Physics},
issn = {0021-9606},
number = 19,
volume = 142,
place = {United States},
year = {2015},
month = {5}
}