Skip to main content
SpringerLink
Log in

Elastic scattering of low-energy electrons by CH3CN and CH3NC molecules

  • Regular Article
  • Published:
The European Physical Journal D Aims and scope Submit manuscript

Abstract

Rotationally-summed elastic cross sections for electrons collisions with the isomers acetonitrile and methyl isocyanide are reported. Theoretical differential and integral cross sections are calculated using the UK molecular R-matrix codes in the energy range from 1 eV to 10 eV. The dynamic interaction is represented within a static-exchange plus polarization model based on the use of an extensive orbital sets. Both molecule have a large permanent dipole moment and a Born closure procedure is used to get more reliable cross sections. These molecules show low-energy, π ∗ resonances at 2.4 and 2.7 eV for CH3CN and CH3NC, respectively; and very broad σ ∗ ones at about 6 eV. Our results suggest that electron collisions with CH3CN / CH3NC show similar properties to those found for electron collisions with HCN / HNC.

Graphical abstract

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  1. R. Heintz, H. Zhao, X. Ouyang, G. Grandinetti, J. Cowen, K.R. Dunbar, Inorg. Chem. 38, 144 (1999)

    Article  Google Scholar 

  2. T.A. Heimer, C.A. Bignozzi, G.J. Meyer, J. Phys. Chem. 97, 11987 (1993)

    Article  Google Scholar 

  3. R.J. Habing, G.H. Macdonald, A&A 252, 705 (1991)

    ADS  Google Scholar 

  4. A. Brack, Molecular Origins of Life (Cambridge University Press, Cambridge, 2000)

  5. W.R. Garrett, J. Chem. Phys. 77, 3666 (1982)

    Article  ADS  Google Scholar 

  6. K.R. Lykke, R.D. Mead, W.C. Lineberger, Phys. Rev. Lett. 52, 2221 (1984)

    Article  ADS  Google Scholar 

  7. C.G. Bailey, C.E.H. Dessent, M.A. Johnson, J. Chem. Phys. 104, 6976 (1996)

    Article  ADS  Google Scholar 

  8. G.L. Gutsev, A.L. Sobolewski, L. Adamowicz, Chem. Phys. 196, 1 (1995)

    Article  ADS  Google Scholar 

  9. S. Tsuda, A. Yokohata, T. Umba, Bull. Chem. Soc. Jpn 43, 3383 (1970)

    Article  Google Scholar 

  10. J.A. Stockdale, F.J. Davis, R.N. Compton, C.E. Klots, J. Chem. Phys. 60, 4279 (1974)

    Article  ADS  Google Scholar 

  11. M. Heni, E. Illenberger, Int. J. Mass Spectrom. Ion Proc. 73, 127 (1986)

    Article  ADS  Google Scholar 

  12. P.R. Brooks, P.W. Harland, S.A. Harris, T. Kennair, C. Redden, J.F. Tate, J. Am. Chem. Soc. 129, 15572 (2007)

    Article  Google Scholar 

  13. W. Sailer, A. Pelc, P. Limão-Vieira, N.J. Mason, J. Limtrakul, P. Scheier, M. Probst, T.D. Märk, Chem. Phys. Lett. 381, 216 (2003)

    Article  ADS  Google Scholar 

  14. I. Ipolyi, W. Michaelis, P. Swiderek, Phys. Chem. Chem. Phys. 8, 180 (2007)

    Article  Google Scholar 

  15. A.D. Bass, J.H. Bredehöft, E. Böhler, L. Sanche, P. Swiderek, Eur. Phys. J. D 66, 53 (2012)

    Article  ADS  Google Scholar 

  16. R. Zhang, A. Faure, J. Tennyson, Phys. Scr. 80, 015301 (2009)

    Article  ADS  Google Scholar 

  17. J.M. Carr, P.G. Galiatsatos, J.D. Gorfinkiel, A.G. Harvey, M.A. Lysaght, D. Madden, Z. Maxšin, M. Plummer, J. Tennyson, H.N. Varambhia, Eur. Phys. J. D 66, 58 (2012)

    Article  ADS  Google Scholar 

  18. L.A. Morgan, C.J. Gillan, J. Tennyson, X. Chen, J. Phys. B 30, 4087 (1997)

    Article  ADS  Google Scholar 

  19. L.A. Morgan, J. Tennyson, C.J. Gillan, Comput. Phys. Commun. 114, 120 (1998)

    Article  ADS  Google Scholar 

  20. C.J. Gillan, J. Tennyson, P.G. Burke, in Computational methods for Electron-molecule collisions, edited by W. Huo, F.A. Gianturco (Plenum, 1995), pp. 239–254

  21. J. Tennyson, Phys. Rep. 491, 29 (2010)

    Article  ADS  Google Scholar 

  22. J. Tennyson, J. Phys. B 29, 1817 (1996)

    Article  ADS  Google Scholar 

  23. A. Faure, J.D. Gorfinkiel, L.A. Morgan, J. Tennyson, Comput. Phys. Commun. 144, 224 (2002)

    Article  MATH  ADS  Google Scholar 

  24. N.T. Padial, D.W. Norcross, L.A. Collins, J. Phys. B 14, 2901 (1981)

    Article  ADS  Google Scholar 

  25. M.A. Morrison, Adv. At. Mol. Phys. 24, 51156 (1988)

    Google Scholar 

  26. F.A. Gianturco, A. Jain, Phys. Rep. 143, 347 (1986)

    Article  ADS  Google Scholar 

  27. N. Sanna, F.A. Gianturco, Comput. Phys. Commun. 114, 142 (1998)

    Article  MATH  ADS  Google Scholar 

  28. D.M. Chase, Phys. Rev. 104, 838 (1956)

    Article  ADS  Google Scholar 

  29. I. Rabadan, B.K. Sarpal, J. Tennyson, J. Phys. B 31, 2077 (1998)

    Article  ADS  Google Scholar 

  30. A. Faure, J. Tennyson, Mon. Not. R. astr. Soc. 325, 443 (2001)

    Article  ADS  Google Scholar 

  31. A. Faure, J.D. Gorfinkiel, J. Tennyson, J. Phys. B 37, 801 (2004)

    Article  ADS  Google Scholar 

  32. A. Faure, V. Kokoouline, C.H. Greene, J. Tennyson, J. Phys. B 39, 4261 (2006)

    Article  ADS  Google Scholar 

  33. N.J. Mason et al., to be submitted

  34. C.C. Costain, J. Chem. Phys. 29, 864 (1958)

    Article  ADS  Google Scholar 

  35. S.N. Ghosh, R. Trambarulo, W. Gordy, J. Chem. Phys. 21, 308 (1953)

    Article  ADS  Google Scholar 

  36. J. Tennyson, D.B. Brown, J.J. Munro, I. Rozum, H.N. Varambhia, N. Vinci, J. Phys.: Conf. Ser. 86, 012001 (2007)

    ADS  Google Scholar 

  37. J. Tennyson, C.J. Noble, Comput. Phys. Commun. 33, 421 (1984)

    Article  ADS  Google Scholar 

  38. K.D. Jordan, P.D. Burrow, Acc. Chem. Res. 11, 341 (1978)

    Article  Google Scholar 

  39. A.P. Hitchcock, M. Tronc, A. Modelli, J. Phys. Chem. 93, 3068 (1989)

    Article  Google Scholar 

  40. F. Edard, A.P. Hitchcock, M. Tronc, J. Phys. Chem. 94, 2768 (1990)

    Article  Google Scholar 

  41. P.D. Burrow, A.E. Howard, A.R. Johnston, K.D. Jordan, J. Phys. Chem. 96, 7570 (1992)

    Article  Google Scholar 

  42. A. Jain, D.W. Norcross, Phys. Rev. A 32, 134 (1985)

    Article  ADS  Google Scholar 

  43. A. Jain, D.W. Norcross, Phys. Rev. A 84, 739 (1986)

    Google Scholar 

  44. H.N. Varambhia, J. Tennyson, J. Phys. B 40, 1211 (2007)

    Article  ADS  Google Scholar 

  45. A.G. Sanz, M.C. Fuss, F. Blanco, F. Sebastianelli, F.A. Gianturco, G. García, J. Chem. Phys. 137, 124103 (2012)

    Article  ADS  Google Scholar 

  46. A. Faure, H.N. Varambhia, T. Stoecklin, J. Tennyson, Mon. Not. R. Astron. Soc. 382, 840 (2007)

    Article  ADS  Google Scholar 

  47. S.K. Srivastava, H. Tanaka, A. Chutjian, J. Chem. Phys. 69, 1493 (1978)

    Article  ADS  Google Scholar 

  48. M.H. Mittleman, R.E. von Holdt, Phys. Rev. 140, A726 (1965)

    Article  ADS  Google Scholar 

  49. M.M. Fujimoto, W.J. Brigg, J. Tennyson, Eur. Phys. J. D 66, 204 (2012)

    Article  ADS  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Departamento de Física, Universidade Federal do Paraná, 81531-990, Curitiba, Parana, Brazil

    Milton M. Fujimoto & Erik V. R. de Lima

  2. Department of Physics and Astronomy, University College London, Gower St., London, WC1E 6BT, UK

    Jonathan Tennyson

Authors
  1. Milton M. Fujimoto
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Erik V. R. de Lima
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Jonathan Tennyson
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to Milton M. Fujimoto.

Rights and permissions

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Fujimoto, M.M., de Lima, E.V.R. & Tennyson, J. Elastic scattering of low-energy electrons by CH3CN and CH3NC molecules. Eur. Phys. J. D 69, 153 (2015). https://doi.org/10.1140/epjd/e2015-60189-1

Download citation

  • Received:

  • Revised:

  • Published:

  • DOI: https://doi.org/10.1140/epjd/e2015-60189-1

Keywords

Search

Navigation