Advertisement

Monatshefte für Chemie - Chemical Monthly

, Volume 109, Issue 4, pp 943–951 | Cite as

CNDO/2 study on lithium bonding in lithium methoxide—Amine systems

  • Z. Latajka
  • H. Ratajczak
  • K. Romanowska
  • Z. Tomczak
Anorganische, Struktur- und Physikalische Chemie

Abstract

A systematic CNDO/2 study has been carried out on the lithium-bonded model systems, CH3OLi−NR3, formed between lithium methoxide and aliphatic amines. Significant correlations between calculated molecular properties of the complexes and the ionization potentials of the amines have been found, and these are discussed on the basis ofMulliken's charge transfer theory. Similarities and differencies between the lithium bond and the hydrogen bond are discussed.

Keywords

Lithium Dipole Moment Ionization Potential Aliphatic Amine Equilibrium Distance 
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.

CNDO/2 Untersuchungen der Lithium-Bindung in Lithiummethoxid—Amin-Systemen

Zusammenfassung

Es wurde für das Modellsystem CH3OLi−NR3 eine systematische CNDO/2 Studie durchgeführt um die Lithium-Bindung zwischen Lithiummethoxid und einer Reihe von aliphatischen Aminen zu untersuchen. Es wurde eine signifikante Korrelation zwischen den berechneten Eigenschaften der Komplexe und den Ionisierungspotentialen der Amine gefunden; das wird auf Basis der Elektronen-Donor-Acceptor Theorie nachMulliken diskutiert. Lithium-und Wasserstoff-Brücken-Bindung werden gegenübergestellt und Analogien bzw. Unterschiede herausgearbeitet.

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. 1.
    D. N. Shigorin, Spectrochim. Acta14, 198 (1959).CrossRefGoogle Scholar
  2. 2.
    H. Ratajczak andL. Sobczyk, Roczn. Chem.33, 853 (1959).Google Scholar
  3. 3.
    P. A. Kollman, J. F. Liebman, andL. C. Allen, J. Amer. Chem. Soc.92, 1142 (1970).CrossRefGoogle Scholar
  4. 4.
    B. S. Ault andG. C. Pimentel, J. Phys. Chem.79, 621 (1975).CrossRefGoogle Scholar
  5. 5.
    M. M. Szcęśniak, H. Ratajczak, U. P. Agarwal, andC. N. R. Rao, Chem. Phys. Lett.44, 465 (1976).CrossRefGoogle Scholar
  6. 6.
    M. M. Szczęśniak andH. Ratajczak, J. Chem. Phys.67, 5400 (1977).CrossRefGoogle Scholar
  7. 7.
    H. Ratajczak andM. M. Szczęśniak, C. R. Acad. Sci. ParisC 285, 341 (1977).Google Scholar
  8. 8.
    Z. Latajka, H. Ratajczak, K. Romanowska, andZ. Tomczak, J. Organometal. Chem.131, 347 (1977).CrossRefGoogle Scholar
  9. 9.
    J. A. Pople, D. P. Santry, andG. A. Segal. J. Chem. Phys.43, 129 (1965).CrossRefGoogle Scholar
  10. 10.
    J. A. Pople andG. A. Segal, J. Chem. Phys.43, S. 136 (1965); ibid.J. A. Pople andG. A. Segal, J. Chem. Phys.44, 3289 (1966).CrossRefGoogle Scholar
  11. 11.
    J. A. Pople andD. L. Beveridge, Approximate Molecular Orbital Theory. New York: McGraw-Hill Book Co. 1970.Google Scholar
  12. 12.
    L. E. Sutton (ed.), Tables of Interatomic Distances and Configuration in Molecules and Ions. London: Chemical Society. 1958 and 1965.Google Scholar
  13. 13.
    J. E. Del Bene, J. Chem. Phys.55, 4633 (1971).CrossRefGoogle Scholar
  14. 14.
    A. L. McClellan, Tables of Experimental Dipole Moments, Vol. 1. San Francisco-London: W. H. Freeman. 1963.Google Scholar
  15. 15.
    P. A. Kollman andL. C. Allen, Chem. Rev.72, 283 (1972).CrossRefGoogle Scholar
  16. 16.
    P. Schuster Z. Chem.13, 41 (1973).CrossRefGoogle Scholar
  17. 17.
    P. Schuster, Energy Surfaces for Hydrogen Bonded Systems. in: The Hydrogen Bond (P. Schuster, G. Zundel undC. Sandorfy, Hrsg.), Vol. I, Amsterdam: North-Holland Publ. Co. 1976.Google Scholar
  18. 18.
    J. E. Del Bene, J. Amer. Chem. Soc.95, 5460 (1973).CrossRefGoogle Scholar
  19. 19.
    K. Watanabe, T. Nakayama, andJ. Mottl, J. Quantum Spectrosc., Radiative Transfer.2, 369 (1962).CrossRefGoogle Scholar
  20. 20.
    R. S. Mulliken, J. Amer. Chem. Soc.74, 811 (1952).CrossRefGoogle Scholar
  21. 21.
    H. Ratajczak andW. J. Orville-Thomas, J. Mol. Struct.14, 149, 155 (1972).CrossRefGoogle Scholar
  22. 22.
    H. Ratajczak, J. Phys. Chem.76, 3991 (1972).CrossRefGoogle Scholar
  23. 23.
    H. Ratajczak andW. J. Orville-Thomas, J. Chem. Phys.58, 911 (1973).CrossRefGoogle Scholar
  24. 24.
    H. Ratajczak, J. Mol. Struct.17, 431 (1973).CrossRefGoogle Scholar
  25. 25.
    M. Cl. Moireau andA. Veillard, Theoret. Chim. Acta11, 344 (1968).CrossRefGoogle Scholar
  26. 26.
    C. N. R. Rao, P. C. Dwivedi, A. Gupta, H. S. Randhawa, H. Ratajczak, M. M. Szczęśniak, K. Romanowska, andW. J. Orville-Thomas, J. Mol. Struct.30, 271 (1976).CrossRefGoogle Scholar

Copyright information

© Springer-Verlag 1978

Authors and Affiliations

  • Z. Latajka
    • 1
  • H. Ratajczak
    • 1
  • K. Romanowska
    • 1
  • Z. Tomczak
    • 2
  1. 1.Institute of ChemistryUniversity of WrocławWrocławPoland
  2. 2.Institute of PhysicsTechnical University of WarsawWarsawPoland

Personalised recommendations