Electron-impact electronic-state excitation of para-benzoquinone

Autor(es):Mostrar menos -

Jones, D. B. ^[1] ; da Costa, R. F. ^{[2, 3]} ; Kossoski, F. ^[2] ; Varella, M. T. do N. ^[4] ; Bettega, M. H. F. ^[5] ; Ferreira da Silva, F. ^[6] ; Limao-Vieira, P. ^[6] ; Garcia, G. ^[7] ; Lima, M. A. P. ^[2] ; White, R. D. ^[8] ; Brunger, M. J. ^[1]

Afiliação do(s) autor(es)

^[1] Flinders Univ S Australia, Coll Sci & Engn, GPO Box 2100, Adelaide, SA 5001 - Australia

^[2] Univ Estadual Campinas, Inst Fis Gleb Wataghin, BR-13083859 Campinas, SP - Brazil

^[3] Univ Fed Espirito Santo, Ctr Ciencias Exatas, Dept Fis, BR-29075910 Vitoria, ES - Brazil

^[4] Univ Sao Paulo, Inst Fis, Rua Matao 1731, BR-05508090 Sao Paulo, SP - Brazil

^[5] Univ Fed Parana, Dept Fis, CP 19044, BR-81531990 Curitiba, Parana - Brazil

^[6] Univ Nova Lisboa, Fac Ciencias & Tecnol, CEFITEC, Dept Fis, Lab Colisoes Atom & Mol, P-2829516 Caparica - Portugal

^[7] CSIC, Inst Fis Fundamental, Serrano 113 Bis, E-28006 Madrid - Spain

^[8] James Cook Univ, Coll Sci & Engn, Townsville, Qld - Australia

• Tipo de documento: Artigo Científico
• Fonte: Journal of Chemical Physics; v. 148, n. 12 MAR 28 2018.
• Citações Web of Science: 4

Resumo

Angle resolved electron energy loss spectra (EELS) for para-benzoquinone (C6H4O2) have been recorded for incident electron energies of 20, 30, and 40 eV. Measured differential cross sections (DCSs) for electronic band features, composed of a combination of energetically unresolved electronic states, are subsequently derived from those EELS. Where possible, the obtained DCSs are compared with those calculated using the Schwinger multichannel method with pseudopotentials. These calculations were performed using a minimum orbital basis single configuration interaction framework at the static exchange plus polarisation level. Here, quite reasonable agreement between the experimental cross sections and the theoretical cross sections for the summation of unresolved states was observed. Published by AIP Publishing. (AU)

• Processo FAPESP: 15/23792-5 - Dinâmica semiclássica não-adiabática de ânions transientes
• Beneficiário: Fábris Kossoski
• Modalidade de apoio: Bolsas no Brasil - Pós-Doutorado