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The context and application of ligand field theory

  • Malcolm Gerloch
  • John H. Harding
  • R. Guy Woolley
Conference paper
Part of the Structure and Bonding book series (STRUCTURE, volume 46)

Abstract

A formal development of ligand field theory from the elements of quantum chemistry is traced to provide an explicit contect for its procedures and practice. The nature of the assumptions and limitations of ligand field theory in general is described and the significance of interelectron repulsion and spin-orbit coupling parameters within its application is discussed. Finally, a detailed justification for the angular overlap model is presented, the parameters of which are shown to behave in most respects as first postulated ad hoc. The discussion incudes an interpretation of the phenomenon of “d-s” mixing, recently invoked in studies of planar-co-ordinated complexes.

Keywords

Matrix Element Transition Metal Complex Ligand Field Schr6dinger Equation Ligand Orbital 
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.

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References

  1. 1.
    Ballhausen, C. J.: J. Chem. Ed. 56, 215, 294, 357 (1979)CrossRefGoogle Scholar
  2. 2.
    Gerloch, M.: Prog. Inorg. Chem. 26, 7 (1979)Google Scholar
  3. 3.
    Jørgensen, C. K., Pappalardo, R., Schmidtke, H. H.: J. Chem. Phys., 39, 1422 (1963)CrossRefGoogle Scholar
  4. 4.
    Schäffer, C. E., Jørgensen, C. K.: Mol. Phys. 9, 401 (1965)CrossRefGoogle Scholar
  5. 5.
    Schäffer, C. E., Jørgensen, C. K.: Math-fys. Med. Vid. Selsk. (Copenhagen), 34 (13), (1965)Google Scholar
  6. 6.
    Schäffer, C. E.: Structure and Bonding 5, 68 (1968)Google Scholar
  7. 7.
    Schäffer, C. E.: Pure Appl. Chem. 24, 361 (1970)Google Scholar
  8. 8.
    McClure, D. S.: Proc. VI ICCC. Adv. Chem. Co-ordination Compounds, p. 498(Ed. S. Kirschner) MacMillan, New York (1961)Google Scholar
  9. 9.
    Yamatera, H.: Naturwissenschaften 44, 375 (1957)CrossRefGoogle Scholar
  10. 10.
    Yamatera, H.: Bull. Chem. Soc. Japan 31, 95 (1958)CrossRefGoogle Scholar
  11. 11.
    Wolfsberg, M., Helmholz, L.: J. Chem. Phys. 20, 837 (1952)CrossRefGoogle Scholar
  12. 12.
    Gerloch, M., Slade, R. C.: Ligand Field Parameters, Cambridge University Press 1973Google Scholar
  13. 13.
    Glerup, J., Mønsted, O., Schäffer, C. E.: Inorg. Chem. 15, 1399 (1976)CrossRefGoogle Scholar
  14. 14.
    Gerloch, M., McMeeking, R. F., White, A. M.: J. Chem. Soc. Dalton Trans. 2452 (1976)Google Scholar
  15. 15.
    Cruse, D. A., Gerloch, M.: J. Chem. Soc. Dalton Trans. 152 (1977)Google Scholar
  16. 16.
    Cruse, D. A., Gerloch, M.: ibid. 1613 (1977)Google Scholar
  17. 17.
    Smith, D. W.: Structure and Bonding 35, 87 (1978)Google Scholar
  18. 18.
    Davies, J. E., Gerloch, M., Phillips, D. J.: J. Chem. Soc. Dalton Trans. 1836 (1979)Google Scholar
  19. 19.
    Gerloch, M., Hanton, L. R.: Inorg. Chem. 20, 1046 (1981)CrossRefGoogle Scholar
  20. 20.
    Falvello, L. R., Gerloch, M.: ibid. 19, 472 (1980)CrossRefGoogle Scholar
  21. 21.
    Ballhausen, C. J., Dahl, J. P.: Theor. Chim. Acta 34, 169 (1974)CrossRefGoogle Scholar
  22. 22.
    Stevens, K. W. H.: Proc. Roy. Soc. (London) A219, 542 (1953)Google Scholar
  23. 23.
    Orgel, L. E.: Chemistry of Transition Metal Ions, Methuen, London, 1960Google Scholar
  24. 24.
    Gerloch, M., Miller, J. R.: Prog. Inorg. Chem. 10, 1 (1968)Google Scholar
  25. 25.
    Jørgensen, C. K.: Modern Aspects of Ligand Field Theory, North Holland, Amsterdam, 1971Google Scholar
  26. 26.
    Griffith, J. S.: Theory of Transition Metal Ions, Cambridge University Press, 1961Google Scholar
  27. 27.
    Lykos, P. G., Parr, R. G.: J. Chem. Phys. 24, 1166 (1956)CrossRefGoogle Scholar
  28. 28.
    Löwdin, P. O.: Perturbation Theory and its Application in Quantum Mechanics, pp. 255–294 (Ed. C. H. Wilcox) Wiley, 1966Google Scholar
  29. 29.
    Freed, K. F.: Chem. Phys. 463 (1974)Google Scholar
  30. 30.
    Freed, K. F.: J. Chem. Phys. 60, 1765 (1974)CrossRefGoogle Scholar
  31. 31.
    Anderson, P. W.: Phys. Rev. 181, 25 (1969)CrossRefGoogle Scholar
  32. 32.
    Freed, K. F.: Modern Theoretical Chemistry, Vol. 7 A (ed. G. A. Segal) Plenum Press, 1977Google Scholar
  33. 33.
    Klein, D. J.: J. Chem. Phys. 61, 786 (1975)CrossRefGoogle Scholar
  34. 34.
    Klein, D. J.: ibid. 64, 4868, 4873 (1976); Mol. Phys. 31, 783, 797, 811 (1976)CrossRefGoogle Scholar
  35. 35.
    Brandow, B. H.: Adv. Quantum Chem. 10, 188 (1977)Google Scholar
  36. 36.
    McWeeny, R., Sutcliffe, B. T.: Methods of Molecular Quantum Mechanics, Ch. 7, Academic Press, London, 1969Google Scholar
  37. 37.
    Lévy, B., Berthier, G.: Int. J. Quant. Chem. 12, 579 (1977)CrossRefGoogle Scholar
  38. 38.
    Slater, J. C.: Quantum Theory of Molecules and Solids, Vol. 1, 1963Google Scholar
  39. 39.
    Sugano, S., Tanabe, Y., Kamimura, H.: Multiplets of Transition Metal Ions in Crystals, Academic Press, 1970Google Scholar
  40. 40.
    des Cloizeaux, J.: Nuclear Phys. 20, 321 (1960)CrossRefGoogle Scholar
  41. 41.
    Jørgensen, F.: Int. J. Quant. Chem. 12, 397 (1977)CrossRefGoogle Scholar
  42. 42.
    Judd, B. R.: Second Quantization and Atomic Spectroscopy John Hopkins Press, Baltimore, 1967Google Scholar
  43. 43.
    Haydock, R., Heine, V., Kelly, M. J.: J. Phys. C5, 2845 (1972); C8, 2591 (1975)Google Scholar
  44. 44.
    Woolley, R. G.: Mol. Phys. 42, 703 (1981)CrossRefGoogle Scholar
  45. 45.
    Hohenberg, P., Kohn, W.: Phys. Rev. B 136, 864 (1964)CrossRefGoogle Scholar
  46. 46.
    Einstein, T. L., Schrieffer, J. R.: ibid. B 7, 3629 (1973)Google Scholar
  47. 47.
    Brink, D. M., Satchler, G. R.: Angular Momentum, Clarendon Press, Oxford, 1968Google Scholar
  48. 48.
    Rotenberg, M., et al.: The 3-j and 6-j Symbols, MIT (Technology) Press, 1959Google Scholar
  49. 49.
    Newman, D. J.: Adv. Phys. 20, 197 (1971)CrossRefGoogle Scholar
  50. 50.
    Ballhausen, C. J.: Mat. Fys. Medd. Kgl. Dansk. Vid. Selsk. 29 (4) (1954)Google Scholar
  51. 51.
    Ballhausen, C. J., Ancman, E. M.: ibid. 31 (2) (1958)Google Scholar
  52. 52.
    Polder, D.: Physica 9, 709 (1942)CrossRefGoogle Scholar
  53. 53.
    Van Vleck, J. H.: J. Chem. Phys. 7, 72 (1939)CrossRefGoogle Scholar
  54. 54.
    Iwata, M., Saito, Y.: Acta Cryst. 829, 822 (1973)Google Scholar
  55. 55.
    Coppens, P.: Angew. Chem. Int. Engl. Ed. 16, 32 (1977)CrossRefGoogle Scholar
  56. 56.
    Smith, D. W.: Inorg. Chim. Acta 22, 107 (1977)CrossRefGoogle Scholar
  57. 57.
    Mackey, D. J., McMeeking, R. F., Hitchman, M. A.: J. Chem. Soc. Dalton Trans. 299 (1979) and references thereinGoogle Scholar
  58. 58.
    Ferguson, J., Wood, D. L.: Austral. J. Chem. 23, 861 (1970)CrossRefGoogle Scholar
  59. 59.
    Ballhausen, C. J.: Introduction to Ligand Field Theory, McGraw-Hill, New York, 1962Google Scholar
  60. 60.
    Gerloch, M., Hanton, L. R., Manning, M. R.: Inorg. Chim. Acta, in pressGoogle Scholar

Copyright information

© Springer-Verlag 1981

Authors and Affiliations

  • Malcolm Gerloch
    • 1
  • John H. Harding
    • 1
  • R. Guy Woolley
    • 2
  1. 1.University Chemical LaboratoriesCambridgeEngland
  2. 2.Cavendish LaboratoryCambridgeEngland

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