Skip to main content
SpringerLink
Log in

Theoretical study of the ethane ionization spectra within the correlation hole model

  • Original Investigations
  • Published:
Theoretica chimica acta Aims and scope Submit manuscript

Abstract

This work is an extension of a previous study on the assignment of the peaks of the photoionization spectrum of C2H6 [1].

The model of the correlation hole is reconsidered in order to carry out a new study of the states2 A 1g ,2 E g ,2 E u and2 A 2u of the C2H +6

The qualitative relations which the average mass of the electrons in the Coulomb hole must have for the four states of the C2H +6 , lead to a new criterion for the assignation of the peaks of the spectrum. The arrangement obtained for the two lower peaks is in agreement with those obtained previously [1].

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. Moscardó, F., Paniagua, M., San-Fabián, E.: Theoret. Chim. Acta (Berl.), in press

  2. Baker, A. D., Baker, C., Brundle, C. R., Turner, D. W.: Intern. J. Mass Spectry. Ion Phys.1, 285 (1968)

    CAS  Google Scholar 

  3. Narayan, B.: Mol. Phys.23, 281 (1972)

    CAS  Google Scholar 

  4. Rabalais, J. W., Katrib, A.: Mol. Phys.27, 923 (1974)

    CAS  Google Scholar 

  5. Chupka, W. A., Berkowitz, J.: J. Chem. Phys.47, 2921 (1967)

    Article  CAS  Google Scholar 

  6. Nicholson, A. J. C.: J. Chem. Phys.43, 1171 (1965)

    Article  CAS  Google Scholar 

  7. Watanabe, K.: J. Chem. Phys.26, 542 (1957)

    CAS  Google Scholar 

  8. Steiner, B., Giese, C. F., Inghram, M. G.: J. Chem. Phys.34, 189 (1961)

    Article  CAS  Google Scholar 

  9. Stockbauer, R.: J. Chem. Phys.58, 3800 (1973)

    Article  CAS  Google Scholar 

  10. Dey, S., Dixon, A. J., McCarthy, I. E., Weigold, E.: J. Electron Spectry. Rel. Phenom.9, 397 (1976)

    CAS  Google Scholar 

  11. Richartz, A., Buenker, R. J., Peyerimhoff, S. D.: Chem. Phys.28, 305 (1978)

    Article  CAS  Google Scholar 

  12. Colle, R. and Salvetti, O.: Theoret. Chim. Acta (Berl.)37, 329 (1975)

    Article  CAS  Google Scholar 

  13. McWeeny, R., in: The new world of quantum chemistry, pp. 3–31. Pullman, B., Parr, R., Eds. Amsterdam: North Holland 1977

    Google Scholar 

  14. Bingel, W. A.: Theoret. Chim. Acta (Berl.)8, 54 (1967)

    Article  CAS  Google Scholar 

  15. Wigner, E. P.: Phys. Rev.46, 1002 (1934)

    CAS  Google Scholar 

  16. Lathan, W. A., Curtiss, L. A., Pople, J. A.: Mol. Phys.22, 1081 (1971)

    CAS  Google Scholar 

  17. Buenker, R. J., Peyerimhoff, S. D.: Chem. Phys.8, 56 (1975)

    CAS  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Departamento de Química Física y Química Cuántica, Centro Coordinado UAM-CSIC, Facultad de Ciencias, Universidad Autónoma de Madrid, Cantoblanco, Madrid-34, Spain

    Federico Moscardó, Miguel Paniagua & Emilio San-Fabián

Authors
  1. Federico Moscardó
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Miguel Paniagua
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Emilio San-Fabián
    View author publications

    You can also search for this author in PubMed Google Scholar

Rights and permissions

Reprints and permissions

About this article

Cite this article

Moscardó, F., Paniagua, M. & San-Fabián, E. Theoretical study of the ethane ionization spectra within the correlation hole model. Theoret. Chim. Acta 54, 53–58 (1979). https://doi.org/10.1007/BF02394617

Download citation

  • Received:

  • Issue Date:

  • DOI: https://doi.org/10.1007/BF02394617

Key words

Search

Navigation