Theoretical and experimental investigation of electron collisions with acetone

M. G. P. Homem, I. Iga, L. A. da Silva, J. R. Ferraz, L. E. Machado, G. L. C. de Souza, V. A. S. da Mata, L. M. Brescansin, R. R. Lucchese, and M.-T. Lee
Phys. Rev. A 92, 032711 – Published 21 September 2015

Abstract

We report a joint theoretical-experimental investigation on elastic electron scattering by acetone in the low- and intermediate-energy regions. More specifically, experimental differential, integral, and momentum-transfer cross sections are given in the 30–800 eV and 10120 ranges. Theoretical cross sections are reported in the 1–500 eV interval. The experimental differential cross sections were determined using a crossed electron-beam–molecular-beam geometry, whereas the absolute values of the cross sections were obtained using the relative-flow technique. Theoretically, a complex optical potential derived from a Hartree-Fock molecular wave function was used to represent the collision dynamics, and a single-center expansion method combined with the Padé approximant technique was used to solve the scattering equations. Our experimental cross-section data are in generally good agreement with the present calculated data. Also, our calculated grand-total and total absorption cross sections are in good agreement with the experimental results reported in the literature. Nevertheless, our calculations have revealed a strong shape resonance in the 2B2 scattering channel not clearly seen in the experimental results. Possible reasons for this fact are also discussed.

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  • Received 2 August 2015

DOI:https://doi.org/10.1103/PhysRevA.92.032711

©2015 American Physical Society

Authors & Affiliations

M. G. P. Homem1, I. Iga1, L. A. da Silva1, J. R. Ferraz2, L. E. Machado2, G. L. C. de Souza3, V. A. S. da Mata3, L. M. Brescansin4, R. R. Lucchese5, and M.-T. Lee1

  • 1Departamento de Química, UFSCar, 13565-905 São Carlos, São Paulo, Brazil
  • 2Departamento de Física, UFSCar, 13565-905 São Carlos, São Paulo, Brazil
  • 3Departamento de Química, UFMT, 78060-900 Cuiabá, Mato Grosso, Brazil
  • 4Instituto de Física “Gleb Wataghin,” UNICAMP, 13083-970 Campinas, São Paulo, Brazil
  • 5Chemistry Department, Texas A&M University, College Station, Texas 77842-3012, USA

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Vol. 92, Iss. 3 — September 2015

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