Skip to main content
SpringerLink
Log in
Book cover

Molecular Orbitals and their Energies, Studied by the Semiempirical HAM Method pp 142–186Cite as

Excitation and UV spectroscopy

  • Chapter

  • 149 Accesses

Part of the book series: Lecture Notes in Chemistry ((LNC,volume 38))

Abstract

Excitation means that one electron moves from an occupied orbital ψι to an unoccupied orbital ψ α. This can happen after supply of energy, usually from electrons or photons.

This is a preview of subscription content, log in via an institution.

Chapter
USD   29.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD   39.99
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD   54.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Learn about institutional subscriptions

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. C.C.J. Roothaan, Rev. Mod. Phys. 23, 69 (1951).

    Article  CAS  Google Scholar 

  2. J. Ridley and M. Zerner, Theoret. Chim. Acta 32, 111 (1973).

    Article  CAS  Google Scholar 

  3. J.C. Slater, Quantum Theory of Atomic Structure, Vol.1, pp. 339–342, McGraw-Hill, New York (1960).

    Google Scholar 

  4. J.A. Pople and D.L. Beveridge, Approximate Molecular Orbital Theory, McGraw-Hill, New York (1979).

    Google Scholar 

  5. N.C. Baird and M.J.S. Dewar, J. Chem. Phys. 50, 1262 (1969).

    Article  CAS  Google Scholar 

  6. L. Salem, The Molecular Orbital Theory of Conjugated Systems, Benjamin, New York (1966).

    Google Scholar 

  7. S.P. McGlynn, L.G. Vanquickenborne, M. Kinoshito and D.G. Carroll, Introduction to Applied Quantum Chemistry, Holt, Rinehart and Winston, New York (1972).

    Google Scholar 

  8. R. Pariser and R.G. Parr, J. Chen. Phys. 21, 466 (1953).

    Article  CAS  Google Scholar 

  9. R. Pariser and R.G. Parr, J. Chem. Phys. 21, 767 (1953).

    Article  CAS  Google Scholar 

  10. J.A. Pople, Trans. Faraday Soc. 49, 1375 (1953).

    Article  CAS  Google Scholar 

  11. J. Del Bene and H.H. Jaffé, J. Chem. Phys. 48, 1807 (1968).

    Article  Google Scholar 

  12. J. Geiger and K. Wittmaack, Z. Naturforsch. 20a, 628 (1965).

    CAS  Google Scholar 

  13. D.G. Wilden and J. Comer, J. Phys. B: Atom. Molec. Phys. 12, L371 (1979).

    Article  CAS  Google Scholar 

  14. R. Pariser, J. Chem. Phys. 24, 250 (1956).

    Article  CAS  Google Scholar 

  15. J.P. Doering, J. Chem. Phys. 67, 4065 (1977).

    Article  CAS  Google Scholar 

  16. L. Åsbrink, C. Fridh and E. Lindholm, Chem. Phys. Letters 52, 72 (1977).

    Article  Google Scholar 

  17. O.A. Mosher, W.M. Flicker and A. Kuppermann, J. Chem. Phys. 59, 6502 (1973).

    Article  CAS  Google Scholar 

  18. G.A. George and G.C. Morris, J. Mol. Spectr. 26, 67 (1968).

    Article  CAS  Google Scholar 

  19. E.E. Koch, A. Otto and K. Radier, Chem. Phys. Letters 16, 131 (1972).

    Article  CAS  Google Scholar 

  20. G.J. Verhaart, P. Brasem and H.H. Brongersma, Chem. Phys. Letters 62, 519 (1979).

    Article  CAS  Google Scholar 

  21. R.H. Huebner, S.R. Mielczarek and C.E. Kuyatt, Chem. Phys. Letters 16, 464 (1972).

    Article  CAS  Google Scholar 

  22. M.B. Robin, Higher Excited States of Polyatomic Molecules, Vol.11, Academic Press, New York (1975).

    Google Scholar 

  23. C. Fridh, L. Åsbrink, B.Ö. Jonsson and E. Lindholm, Int. J. Mass Spectrom. Ion Phys. 9, 485 (1972).

    Article  CAS  Google Scholar 

  24. G.W. Pukanic, D.R. Forshey, Br. J.D. Wegener and J.B. Greenshields, Theoret. Chim. Acta 10, 240 (1968).

    Article  CAS  Google Scholar 

  25. R.L. Ellis, G. Kuehnlenz and H.H. Jaffé, Theoret. Chim. Acta 26, 131 (1972).

    Article  CAS  Google Scholar 

  26. W.M. Flicker, O.A. Mosher and A. Kuppermann, J. Chem. Phys. 64, 1315 (1976).

    Article  CAS  Google Scholar 

  27. W.M. Flicker, O.A. Mosher and A. Kuppermann, Chem. Phys. Letters 38, 489 (1976).

    Article  CAS  Google Scholar 

  28. L. Åsbrink, C. Fridh and E. Lindholm, J. Electron Spectrosc. 16, 65 (1979).

    Article  Google Scholar 

  29. J. Del Bene and H.H. Jaffé, J. Chem. Phys. 48, 4050 (1968).

    Article  Google Scholar 

  30. I. Fischer-Hjalmars and M. Sundbom, Acta Chem. Scand. 22, 607 (1968).

    Article  CAS  Google Scholar 

  31. B.Ö. Jonsson and E. Lindholm, Arkiv Fysik 39, 65 (1969).

    CAS  Google Scholar 

  32. D.P. Chong, Can. J. Chem. 58, 1687 (1980).

    Article  CAS  Google Scholar 

  33. J.L. Roebber, J.C. Larrabee and R.E. Huffman, J. Chem. Phys. 46, 4594 (1967).

    Article  CAS  Google Scholar 

  34. J.W. Rabalais, T. Bergmark, L.O. Werme, L. Karlsson and K. Siegbahn, in Electron Spectroscopy, D.A. Shirley (ed.), p.425, North-Holland, Amsterdam (1972).

    Google Scholar 

  35. E.E. Koch and A. Otto, Chem. Phys. Letters 12, 476 (1972).

    Article  CAS  Google Scholar 

  36. L.E. McMurchie and E.R. Davidson, J. Chem. Phys. 66, 2959 (1977).

    Article  CAS  Google Scholar 

  37. B.R. Brooks and H.F. Schaefer III, J. Chem. Phys. 68, 4839 (1978).

    Article  CAS  Google Scholar 

  38. R.J. Buenker, S.K. Shih and S.D. Peyerimhoff, Chem. Phys. 36, 97 (1979).

    Article  CAS  Google Scholar 

  39. J. Rose, T. Shibuya and V. McKoy, J. Chem. Phys. 58, 74 (1973).

    Article  CAS  Google Scholar 

  40. H. Nakatsuji, J. Chem. Phys. 80, 3703 (1984).

    Article  CAS  Google Scholar 

  41. K.K. Sunil, K.D. Jordan and R. Shepard, Chem. Phys. 88, 55 (1984).

    Article  CAS  Google Scholar 

  42. R.J. Buenker, S.K. Shih and S.D. Peyerimhoff, Chem. Phys. Letters 44, 385 (1976).

    Article  CAS  Google Scholar 

  43. R. McDiarmid, J. Chem. Phys. 79, 9 (1983).

    Article  CAS  Google Scholar 

  44. K.H. Thunemann, R.J. Buenker and W. Butscher, Chem. Phys. 47, 313 (1980).

    Article  CAS  Google Scholar 

  45. W. Butscher and K.H. Thunemann, Chem. Phys. Letters 57, 224 (1978).

    Article  CAS  Google Scholar 

  46. E.N. Lassettre and A. Skerbele, in Methods of Experimental Physics, Vol.3, Molecular Physics (edited by D. Williams), Academic Press, New York (1974), p. 868.

    Google Scholar 

  47. A. Kuppermann, W.M. Flicker and O.A. Mosher, Chem. Rev. 79, 77 (1979).

    Article  CAS  Google Scholar 

  48. S. Daviel, C.E. Brion and A.P. Hitchcock, Rev. Sci. Instrum. 55, 182 (1984).

    Article  CAS  Google Scholar 

  49. J.H. Moore, J. Chem. Phys. 55, 2760 (1971).

    Article  CAS  Google Scholar 

  50. M. Allan, Helv. Chim. Acta 65, 2008 (1982).

    Article  CAS  Google Scholar 

  51. R.I. Hall, J. Mazeau, J. Reinhardt and C. Scherman, J. Phys. B: Atom. Molec. Phys. 3, 991 (1970).

    Article  CAS  Google Scholar 

  52. J.H. Moore, J. Phys. Chem. 76, 1130 (1972).

    Article  CAS  Google Scholar 

  53. C. Fridh, J. Chem. Soc., Faraday II, 74, 190 (1978).

    Article  CAS  Google Scholar 

  54. R. McDiarmid, J. Chem. Phys. 64, 514 (1976).

    Article  CAS  Google Scholar 

  55. J.P. Doering and J.H. Moore Jr., J. Chem. Phys. 56, 2176 (1972).

    Article  CAS  Google Scholar 

  56. R.L. Ellis and H.H. Jaffé, in Semiempirical Methods of Electronic Structure Calculation, Part B: Applications, G.A. Segal (ed.), Plenum Press, New York (1977), p.49.

    Google Scholar 

  57. E. Lindholm, J. Mol. Spectrosc. 101, 444 (1983).

    Article  CAS  Google Scholar 

  58. A. Recknagel, Z. Phys. 87, 375 (1934).

    Article  CAS  Google Scholar 

  59. C.W. Scherr, J. Chem. Phys. 23, 569 (1955).

    Article  CAS  Google Scholar 

  60. W.C. Ermler and R.S. Mulliken, J. Mol. Spectrosc. 61, 100 (1976).

    Article  CAS  Google Scholar 

  61. L. Åsbrink, C. Fridh and E. Lindholm, Chem. Phys. 27, 159 (1978).

    Article  Google Scholar 

  62. C. Fridh, L. Åsbrink and E. Lindholm, Chem. Phys. 27, 169 (1978).

    Article  CAS  Google Scholar 

  63. J.P. Doering, J. Chem. Phys. 67, 4065 (1977), 71, 20 (1979).

    Article  CAS  Google Scholar 

  64. S. Bell, G.J. Cartwright, G.B. Fish, D.O. O’Hare, R.K. Ritchie, A.D. Walsh and P.A. Warsop, J. Mol. Spectrosc. 30, 162 (1969).

    Article  CAS  Google Scholar 

  65. I.D. Petsalakis, G. Theodorakopoulos, C.A. Nicolaides and R.J. Buenker, J. Chem. Phys. 81, 5952 (1984).

    Article  Google Scholar 

  66. V. Bonacic-Koutecky, M. Persico, D. Dönnert and A. Sevin, J. Am. Chem. Soc. 104, 6900 (1982).

    Article  CAS  Google Scholar 

  67. M.M. Goodgame and W.A. Goddard, III, Phys. Rev. Letters 54, 661 (1985).

    Article  CAS  Google Scholar 

  68. R.L. Whetten, S.G. Grubb, C.E. Otis, A.C. Albrecht and E.R. Grant, J. Chem. Phys. 82, 1115 (1985).

    Article  CAS  Google Scholar 

  69. S.G. Grubb, C.E. Otis, R.L. Whetten, E.R. Grant and A.C. Albrecht, J. Chem. Phys. 82, 1135 (1985).

    Article  CAS  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Physics Department, Royal Institute of Technology, S-100 44, Stockholm, Sweden

    E. Lindholm & L. Åsbrink

Authors
  1. E. Lindholm
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. L. Åsbrink
    View author publications

    You can also search for this author in PubMed Google Scholar

Rights and permissions

Reprints and permissions

Copyright information

© 1985 Springer-Verlag Berlin Heidelberg

About this chapter

Cite this chapter

Lindholm, E., Åsbrink, L. (1985). Excitation and UV spectroscopy. In: Molecular Orbitals and their Energies, Studied by the Semiempirical HAM Method. Lecture Notes in Chemistry, vol 38. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-45595-7_9

Download citation

  • DOI: https://doi.org/10.1007/978-3-642-45595-7_9

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-15659-8

  • Online ISBN: 978-3-642-45595-7

  • eBook Packages: Springer Book Archive

Publish with us

Policies and ethics

Search

Navigation