Advertisement

Theoretica chimica acta

, Volume 39, Issue 1, pp 17–24 | Cite as

An SCF-MO study of the electronic structure of the [LiNH3] cation and related molecules

  • Alan Hinchliffe
  • J. Charles Dobson
Article

Abstract

We examine the effect of the charge and degree of protonation of a ligand on its power as a donor. The following molecules are studied [LiNH3]+, LiNH2, Li2NH, and Li3N, which may to a good approximation be regarded as combinations of Li+ ions with the ligands NH3, NH 2 , NH−2, and N−3.

Key word

[LiNH3] cation 

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. 1.
    Dunning,T.H.: J. Chem. Phys. 55, 716 (1971); 55, 3958 (1971)Google Scholar
  2. 2.
    Benedict,W.S., Plyler,E.K.: Canad. J. Phys. 35, 1235 (1957)Google Scholar
  3. 3.
    Rajagopal,P.: Z. Naturforschung 20A, 1557 (1965)Google Scholar
  4. 4.
    Lowdin,P.-O.,: J. Chem. Phys. 21, 374 (1953); Daudel,R., Laforgue,A., Vroelant,A.C.: J. Chim. Phys. 49, 545 (1952); Doggett,G.: J. Chem. Soc. A. 229 (1969)Google Scholar
  5. 5.
    Jacobs,H., Juza,R.: Z. Anorg. Allgem. Chem. 391, 271 (1972)Google Scholar
  6. 6.
    Juza,R., Opp,K.: Z. Anorg. Allgem. Chem. 266, 325 (1951)Google Scholar
  7. 7.
    Dementi,E., McLean,A.D.: Phys. Rev. 133AA, 419 (1964)Google Scholar
  8. 8.
    Bader,R.F.W., Keaveny,I., Runtz,G.: Can. J. Chem. 47, 2308 (1969)Google Scholar
  9. 9.
    Hopkinson,A.C., Holbrook,N.K., Yates,K., Csizmadia,J.G.: J. Chem. Phys. 49, 3596 (1968)Google Scholar
  10. 10.
    Clementi,E.: J. Chem. Phys. 38, 2248 (1963)Google Scholar
  11. 11.
    Baughan,E.C.: Trans. Faraday Soc. 55, 736 (1959)Google Scholar
  12. 12.
    Glockler,G.: Phys. Rev. 46, 111 (1934)Google Scholar
  13. 13.
    Hinchliffe,A., Dobson,J.C.: Mol. Phys. 28, 543 (1974)Google Scholar
  14. 14.
    Edlen,B.: J. Chem. Phys. 33, 98 (1960)Google Scholar
  15. 15.
    Johnson,H.R., Rohrlich,F.: J. Chem. Phys. 30, 1608 (1959)Google Scholar

Copyright information

© Springer-Verlag 1975

Authors and Affiliations

  • Alan Hinchliffe
    • 1
  • J. Charles Dobson
    • 1
  1. 1.Chemistry DepartmentUniversity of ManchesterEngland

Personalised recommendations