Advertisement

Cross-sections for rotational excitations of C3H4 isomers by electron impact

  • A. R. Lopes
  • M. H.F. Bettega
  • M.T. do N. Varella
  • M. A.P. LimaEmail author
Atomic and Molecular Collisions

Abstract.

We report elastic (rotationally summed) and rotationally resolved cross-sections for scattering of low-energy electrons by the C3H4 isomers allene, propyne, and cyclopropene, which belong to the D2d, C3v, and C2v groups, respectively. We employed the Schwinger multichannel method with pseudopotentials at the static-exchange approximation, combined with the adiabatic-nuclei-rotation (ANR) approximation to calculate the rotational excitation cross-sections for energies ranging from 5 to 30 eV. Our rotational resolved cross-sections show the isomer effect more strongly related to scattering potentials of different molecular geometries and to transition selection rules than to differences in mass distribution which account for the energy spacing in the rotational spectra of the molecules.

Keywords

Mass Distribution Electron Impact Cyclopropene Quantum Computing Selection Rule 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. C. Szmytkowski, S. Kwitnewski, J. Phys. B: At. Mol. Opt. Phys. 35, 3781 (2002) CrossRefADSGoogle Scholar
  2. Y. Nakano, M. Hoshino, M. Kitajima, H. Tanaka, M. Kimura, Phys. Rev. A 66, 032714 (2002) CrossRefADSGoogle Scholar
  3. C. Makochekanwa, H. Kawate, O. Sueoka, M. Kimura, M. Kitajima, M. Hoshino, H. Tanaka, Chem. Phys. Lett. 368, 82 (2003) CrossRefGoogle Scholar
  4. C. Szmytkowski, S. Kwitnewski, J. Phys. B: At. Mol. Opt. Phys. 36, 2129 (2003) CrossRefADSGoogle Scholar
  5. A.R. Lopes, M.H.F. Bettega, Phys. Rev. 67, 32711 (2003) CrossRefADSGoogle Scholar
  6. A.R. Lopes, M.A.P. Lima, L.G. Ferreira, M.H.F. Bettega, Phys. Rev. A 69, 014702 (2004) CrossRefADSGoogle Scholar
  7. A.R. Lopes, M.H.F. Bettega, M.A.P. Lima, L.G. Ferreira, J. Phys. B 37, 997 (2004) CrossRefADSGoogle Scholar
  8. D.M. Chase, Phys. Rev. 104, 838 (1956) CrossRefADSGoogle Scholar
  9. M.W. Schmidt, K.K. Baldridge, J.A. Boatz, S.T. Elbert, M.S. Gordon, J.H. Jensen, S. Koseki, N. Matsunaga, K.A. Nguyen, S.J. Su, T.L. Windus, M. Dupuis, J.A. Montgomery, J. Comput. Chem. 14, 1347 (1993) CrossRefGoogle Scholar
  10. G. Schaftenaar, J.H. Noordik, J. Comput.-Aided Mol. Des. 14, 123 (2000) CrossRefGoogle Scholar
  11. K. Takatsuka, V. McKoy, Phys. Rev. A 24, 2473 (1981) CrossRefADSMathSciNetGoogle Scholar
  12. K. Takatsuka, V. McKoy, Phys. Rev. A 30, 1734 (1984) CrossRefADSGoogle Scholar
  13. M.A.P. Lima, L.M. Brescansin, A.J.R. da Silva, C. Winstead, V. McKoy, Phys. Rev. A 41, 327 (1990) CrossRefADSMathSciNetGoogle Scholar
  14. M.H.F. Bettega, L.G. Ferreira, M.A.P. Lima, Phys. Rev. A 47, 1111 (1993) CrossRefADSGoogle Scholar
  15. M.E. Rose, Elementary Theory of Angular Momentum (John Wiley and Sons, New York, 1957) Google Scholar
  16. C. Van Winter, Physica 20, 274 (1954); A. Jain, D.G. Thompson, Comput. Phys. Commun. 30, 301 (1983) CrossRefzbMATHMathSciNetGoogle Scholar
  17. G.B. Bachelet, D.R. Hamann, M. Schlüter, Phys. Rev. B 26, 4199 (1982) CrossRefADSGoogle Scholar
  18. CRC Handbook of Chemistry and Physics, 79th edn., edited by D.R. Lide (CRC, Boca Raton, 1998) Google Scholar
  19. M.H.F. Bettega, A.P.P. Natalense, M.A.P. Lima, L.G. Ferreira, Int. J. Quant. Chem. 60, 821 (1996) CrossRefGoogle Scholar
  20. M.T. do N. Varella, M.H.F. Bettega, A.J.R. da Silva, M.A. P. Lima, J. Chem. Phys. 110, 2452 (1999); M.T. do N. Varella, M.H.F. Bettega, M.A.P. Lima, L.G. Ferreira, J. Chem. Phys. 111, 6396 (1999); A.P.P. Natalense, M.T. do N. Varella, M.H.F. Bettega, L.G. Ferreira, M.A.P. Lima, J. Phys. B: At. Mol. Opt. Phys. 32, 5523 (1999) CrossRefADSGoogle Scholar
  21. F.A. Gianturco, T. Mukherjee, P. Paioletti, Phys. Rev. A 56, 3638 (1997); F.A. Gianturco, T. Stoecklin, Phys. Rev. A 55, 1937 (1997); S. Telega, E. Bodo, F.A. Gianturco, Eur. Phys. J. D 29, 357 (2004) CrossRefADSGoogle Scholar

Copyright information

© EDP Sciences/Società Italiana di Fisica/Springer-Verlag 2005

Authors and Affiliations

  • A. R. Lopes
    • 1
  • M. H.F. Bettega
    • 2
  • M.T. do N. Varella
    • 1
  • M. A.P. Lima
    • 1
    Email author
  1. 1.Instituto de Física “Gleb Wataghin”, Universidade Estadual de CampinasCampinasBrazil
  2. 2.Departamento de FísicaUniversidade Federal do ParanáCuritibaBrazil

Personalised recommendations