Advertisement

X-ray Spectroscopy and Chemical Bonding in Minerals

  • D. S. Urch

Abstract

The chemical bond in minerals, as in chemical compounds, can be thought of as a sharing of a pair of electrons between two or more atoms. But for more detailed and quantitative understanding of bonding it is necessary to determine the energy with which the electrons are bound and their spatial distribution. This is very much the province of theoretical chemistry which, using the techniques of quantum mechanics or of wave mechanics, shows how the Schrödinger equation can be solved in varying degrees of approximation and to varying degrees of abstraction.1,2 The two most popular approaches are the molecular orbital (MO) theory and the valence bond theory. The former is the less sophisticated and generates wavefunctions (orbitals) for electrons that are delocalized over the network of nuclei under consideration (up to an indefinitely large number as in a metal). This theory calculates the energies of molecular orbitals (occupied and unoccupied) and their composition in terms of constituent atomic orbitals (AOs). But the delocalized nature of molecular orbitals destroys the simple concept of a pair of electrons forming a bond between two nuclei — which idea is at the heart of the valence bond method. Although these two approaches appear to give quite a different picture for electron distribution in a molecule they are in fact equivalent to each other and the set of occupied molecular orbitals can be transformed into the corresponding set of localized valence bond orbitals simply by taking suitable linear combinations.

Keywords

Chemical Bonding Molecular Orbital Atomic Orbital Mineral Chemistry Valence Bond Theory 
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.

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. Pauling, L. and Wilson, E.B. (1935) Introduction to Quantum Mechanics, McGraw-Hill, New York and London.Google Scholar
  2. 2.
    Murrell, J.N,Kettle, S.F.A. and Tedder, J.M.( 1965 ) Valence Theory, John Wiley, London and New York.Google Scholar
  3. 3.
    Siegbahn, K., Nordling, N., Johansson, G. et al. (1969) ESCA Applied to Free Molecules, North-Holland, Amsterdam.Google Scholar
  4. Baker, A.D.,Brundle, C. R. and Thompson, M. (1972) Chem. Soc. Rev.1, 355.CrossRefGoogle Scholar
  5. 5.
    Comptoo, A.H. and Allinson, S.K. (1935) X-rays in Theory and Experiment, Van Nostrand, New York.Google Scholar
  6. 6.
    Agarwal, B.K. (1979) X-ray Spectroscopy, Springer-Verlag, Heidelberg.Google Scholar
  7. 7.
    Urch, D.S. (1971) Quart. Rev.,25, 343.CrossRefGoogle Scholar
  8. 8.
    Price, W.C., Potts, A.W. and Streets, D.G. (1972) in Electron Spectroscopy(Proc. Int. Conference, Asilamar, 1971) ed. D.A. Shirley, North-Holland, Amsterdam, p. 187.Google Scholar
  9. 9.
    See for example, Eyring, H., Walter, J. and Kimball, G.E. (1944) Quantum Chemistry, Ch. 8, John Wiley, New York.Google Scholar
  10. 10.
    Urch, D.S. (1970) J. Phys. C, Solid State Phys.,3, 1275.CrossRefGoogle Scholar
  11. 11.
    Turner, D.W., Baker, C., Baker, A.D. and Brundle, C.R. (1970) Molecular Photoelectron Spectroscopy, Wiley-Interscience, London, New York.Google Scholar
  12. 12.
    Price, W.C. (1970) in Molecular Spectroscopy, The Institute of Petroleum, London.Google Scholar
  13. 13.
    Kim, K.S., Baitinger, W.E., Amy, J.W. and Winograd, N. (1974) J. Elect. Spectr. Rel. Phenom. 5, 247.CrossRefGoogle Scholar
  14. 14.
    Storp, S. and Holm, R. (1979) J. Elect. Spectr. Rel. Phenom.,16, 183.CrossRefGoogle Scholar
  15. 15.
    Kasrai, M. and Urch, D.S. (1979) J. chem. Soc. Faraday Trans. II,75, 1522.CrossRefGoogle Scholar
  16. 16.
    Brundle, C.R., Chuang, T.J. and Wandelt, K. (1977) Surf. Sci.,68, 459.CrossRefGoogle Scholar
  17. 17.
    Urch, M.J.S. and Urch, D.S. (1980) ESCA-Auger Tables (Al, Mg), Queen Mary College, Chemistry Department, London.Google Scholar
  18. 18.
    Birks, L. S. (1969) X-ray Spectrochemical Analysis, Wiley-Interscience, New York.Google Scholar
  19. 19.
    Jenkins, R. and de Vries, J.L. (1970) Practical X-ray Spectroscopy, MacMillan, London.Google Scholar
  20. 20.
    Haycock, D.E. and Urch, D.S. (1982) J. Phys. E. Sci. Instrum. 15, 40.CrossRefGoogle Scholar
  21. 21.
    Haycock, D.E. and Urch, D.S. (1978) X-ray Spectrometry,7, 206.CrossRefGoogle Scholar
  22. 22.
    Azaroff, L.V. (ed.) (1974) X-ray Spectroscopy, McGraw-Hill, New York.Google Scholar
  23. 23.
    Henke, B.L. (1962) Adv. X-ray Anal. 6, 361.Google Scholar
  24. 24.
    Henke, B.L. and Taniguchi, K. (1976) J. appl. Phys. 47, 1027.CrossRefGoogle Scholar
  25. 25.
    Wiech, G. (1966) Z. Phys. 193, 490.CrossRefGoogle Scholar
  26. 26.
    Barbee, T.W. (1981) in Low-Energy X-ray Diagnostics -1981, (eds. D.T. Attwood and B.L. Henke) American Institute of Physics, New York (AIP Conf. Prat. No. 75), p.133.Google Scholar
  27. 27.
    Urch, D.S. (1979) in Electron Spectroscopy: Theory Techniques and Applications(ed. C.R. Brundle and A.D. Baker) Vol. 3, Academic Press, London and New York, p. 1.Google Scholar
  28. 28.
    Day, D.E. (1963) Nature Lond.,200, 649.CrossRefGoogle Scholar
  29. 29.
    Tsutsumi, K. and Nakamori, H. (1968) J. phys. Soc. Japan,25, 1418.CrossRefGoogle Scholar
  30. 30.
    Slater, R.A. and Urch, D.S. (1972) J. chem. Soc. Chem. Comm., 564.Google Scholar
  31. 31.
    Wood, P.R. and Urch, D.S. (1978) X-ray Spectrometry,7, 9.CrossRefGoogle Scholar
  32. 32.
    Hogarth, U.C.L. and Urch, D.S. (1976) J. chem. Soc. Dalton, 794.Google Scholar
  33. 33.
    Esmail, E.I., Nicholls, C.J. and Urch, D.S. (1973) The Analyst,98, 725.CrossRefGoogle Scholar
  34. 34.
    Wiech, G., Zopf, E., Chun, H-U and Brukner, R. (1976) J. Non-Cryst. Solids,21, 251.CrossRefGoogle Scholar
  35. 35.
    Alter, A. and Wiech, G. (1978) Jap. J. appl. Phys.,17(supp. 2), 288.Google Scholar
  36. 36.
    Myers K. and Andermann G. (1972) J. chem. Soc. Chem. Comm., 934.Google Scholar
  37. 37.
    Nicholls C.J. and Urch D.S. (1975) J. chem. Soc. Dalton, 2143.Google Scholar
  38. 38.
    Haycock, DE. Nicholls CJ, Webber, MJ. et al. (1978) J. chem. Soc. Dalton, 1785.Google Scholar
  39. 39.
    Haycock, DE., Kasrai, M., Nicholls, CJ. and Urch, DS. (1978) J. chem. Soc. Dalton. 1791.Google Scholar
  40. 40.
    Soofield J.H. (1976) J. Elect. Spear. Rel. Phenonn.,8, l29.CrossRefGoogle Scholar
  41. 41.
    Tolon, C. and Urch, D.S. unpublished results.Google Scholar
  42. 42.
    Wiech, G. personal communication.Google Scholar
  43. 43.
    Brytov, I.A., Dikov, Yu. P., Romashchenko, Yu.N. et al(1976) Inv. Akad. Nauk SSR, Seriya fiz.,40, 413.Google Scholar
  44. 44.
    Al-Kadier, M.A.M.,Tolon, C. and Urch, D.S.(l904) J. Chem. Soc. Faraday Trans. II,80, 669CrossRefGoogle Scholar
  45. 45.
    Urch, D.S.(l979) Orbitals and Symmetry, 2nd printing, MacMillan, London.Google Scholar
  46. 46.
    Cotton, F.A. (1971) Chemical Applications of Group Theory, 2nd edn, Wiley-Interscience, New York.Google Scholar
  47. 47.
    Wiech, G. (1967) Z. Physik,207, 428.CrossRefGoogle Scholar
  48. 48.
    Klein, G.(1973) Proc. Int. Symp. X-ray Spectra and Electronic Structure of Matter, Munich 1972 (ed. A. Faemsleruod G. Wiech)Vol. 2, p. 362.Google Scholar
  49. 49.
    Tolmo, C. and Drcb, D.S. unpublished results.Google Scholar
  50. 50.
    Wiech, G., Koppen, W. and Urch, D.S. (1972) Inorg. Chim. Acta,6, 376.CrossRefGoogle Scholar
  51. 51.
    Berg, U., Drager, G., Mosebach. K., and Brummer, O. (1976) Phys. Stat. Sol.,B75, K89.Google Scholar
  52. 52.
    Tossell, J.A. (1977) J. Chem. Phys.,66, 5712.CrossRefGoogle Scholar
  53. 53.
    Wiech, G. (l981)in Inner-Shell and X-ray Physics of Atoms and Solids (ed. D.J. Fabian, H. Kleinpoppen and L.M.Watson), Plenum Press New York, p.815.Google Scholar
  54. 54.
    Beyreuther, C., Hierl, R. and Wiech, G. (1975) Ber. Buns. Phys. Chem.,79, 1082.Google Scholar
  55. 55.
    Tegeler, E., Kosuch, N., Wiech, G. and Faessler, A. (1980) J. Elect. Spectr. Rel. Phenom. 18, 23.CrossRefGoogle Scholar

Copyright information

© Chapman and Hall Ltd 1985

Authors and Affiliations

  • D. S. Urch

There are no affiliations available

Personalised recommendations