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Photochemistry of Organometallics : Quantum Chemical Approach

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Photoprocesses in Transition Metal Complexes, Biosystems and Other Molecules. Experiment and Theory

Part of the book series: NATO ASI Series ((ASIC,volume 376))

Abstract

A number of photochemical reactions of organometallics have been studied theoretically during the last years. Potential energy curves and potential energy surfaces have been obtained for some typical reactions from ab initio CI calculations using CASSCF wavefunctions as reference wavefunctions. State correlation diagrams have also been derived for other photochemical reactions. In a number of cases the photoactive excited state has been identified and the reaction path has been elucidated. Only a limited number of mechanisms seems to be operative, two for the reactions leading to the elimination of a closed-shell fragment (carbon monoxide or molecular hydrogen for instance) and one for the homolytic process leading to radical fragments. In most cases the reaction proceeds on more that one potential energy curve or potential energy surface, the system passing from one curve (or surface) to the next one through intersystem crossing or internal conversion.

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References

  1. G.L. Geoffroy and M.S. Wrighton, ″Organornetallic photochemistry″ (Academic Press, New-York, 1979).

    Google Scholar 

  2. E.G. Megehee and T.J. Meyer, Inorg. Chem. 28 (1989) 4084.

    Article  CAS  Google Scholar 

  3. K.M. Young, T.M. Miller and M.S. Wrighton, J. Am. Chem. Soc. 112 (1990) 1529.

    Article  CAS  Google Scholar 

  4. R.L Sweany, Inorg. Chem. 21 (1982) 752.

    Article  CAS  Google Scholar 

  5. T.J. Meyer and I.V. Caspar, Chem. Rev. 85 (1985) 187 and references therein.

    Article  CAS  Google Scholar 

  6. H.K. van Dijk, D.J. Stufkens and A. Oskam, J. Am. Chem. Soc. 111 (1989) 541.

    Article  Google Scholar 

  7. T. Kobayashi, H. Ohtani, H. Noda, S. Teratani, H. Yamazaki and K. Yasufuku, Organometallics 5 (1986) 110.

    Article  CAS  Google Scholar 

  8. D.A. Prinslow and V. Vaida, J. Am. Chem. Soc. 102 (1987) 5097. sau][9]_L. Salem and C. Rowland, Angew. Chem. Intern. Ed. 11 (1972) 92.

    Article  Google Scholar 

  9. S.P. Church, M. Poliakoff, J.A. Timmey and J.J. Turner, Inorg. Chem. 22 (1983) 3259.

    Article  CAS  Google Scholar 

  10. C. Daniel, unpublished work.

    Google Scholar 

  11. A. Veillard and A. Strich, J. Am. Chem. Soc. 110 (1988) 3793.

    Article  CAS  Google Scholar 

  12. C. Daniel, Coord. Chem. Rev. 97 (1990) 141.

    Article  CAS  Google Scholar 

  13. C. Daniel, J. Phys. Chem. 95 (1991) 2394.

    Article  CAS  Google Scholar 

  14. M.M. Rohmer and A. Veillard, New J. Chem., in press.

    Google Scholar 

  15. N.I. Turro ″Modem Molecular Photochernistry″, Benjamin, Menlo Park, California, USA, 1978, p. 206 and following.

    Google Scholar 

  16. A. Veillard, Nouv. J. Chim. 5 (1981) 599.

    CAS  Google Scholar 

  17. A. Veillard and A. Dedieu, Theoret Chim. Acta 63 (1983) 339.

    Article  CAS  Google Scholar 

  18. A. Veillard and A. Dedieu, Nouv. J. Chem. 7 (1983) 683.

    CAS  Google Scholar 

  19. C. Daniel et A. Veillard, Nouv. J. Chem. 10 (1986) 83.

    CAS  Google Scholar 

  20. A. I. Rest and J.J. Turner, J. Chem. Soc. Chem. Comm. (1969) 375.

    Google Scholar 

  21. H.K. van Dijk, D.J. Stufkens and A. Oskam, J. Am. Chem. Soc. 111 (1989) 541.

    Article  Google Scholar 

  22. T.J. Meyer, Pure Appl. Chem. 58 (1986) 1193.

    Article  CAS  Google Scholar 

  23. D.M. Manuta and A.J. Lees, Inorg. Chem. 25 (1986) 1354.

    Article  CAS  Google Scholar 

  24. B.R. James ″Homogeneous hydrogenation″, J. Wiley, New-York, 1973, p. 7.

    Google Scholar 

  25. R.G. Pearson, Chem. Rev. 85 (1985) 41.

    Article  CAS  Google Scholar 

  26. R.H. Crabtree ″The organometallic chemistry of the transition metals″, J. Wiley, New-York, 1988, p. 55.

    Google Scholar 

  27. T.A. Albright, J.K. Burdett and M.H. Whangbo ″Orbital interactions in chemistry″, J. Wiley, New-York 1988 and references therein.

    Google Scholar 

  28. A. Marquez and C. Daniel, to be published.

    Google Scholar 

  29. M.J.S. Dewar, E.G. Zocbisch, E.F. Healy and J.J.P. Stewart, J. Am. Chem. Soc. 107 (1985) 3902.

    Article  CAS  Google Scholar 

  30. D.R. Salahub and M.C. Zemer, in ″The Challenge of d and f electrons″, D.R. Salahub and M.C. Zemer eds, ACS Symposium Series 394 (1989) 1.

    Google Scholar 

  31. A. Veillard and J. Demuynck, in ″Modem theoretical chemistry.4. Applications of electronic structure theory″, H.F. Schaefer ed., Plenum, New-York, 1977, p. 187.

    Google Scholar 

  32. C. Daniel and A. Veillard, in ″Quantum chemistry: the challenge of transition metals and coordination chemistry″, A. Veillard ed., NATO ASI Series, Reidel, Dordrecht, 1986, p. 363.

    Google Scholar 

  33. A. Veillard, A. Strich, C. Daniel and P.E.M. Sieg bahn, Chem. Phys. Let. 141 (1987) 329.

    Article  CAS  Google Scholar 

  34. A. Veillard, C. Daniel and M.M. Rohmer, J. Phys. Chem. 94 (1990) 5556.

    Article  CAS  Google Scholar 

  35. P.E.M. Siegbahn, Int. J. Quant. Chem. 23 (1983) 1869.

    Article  CAS  Google Scholar 

  36. P.E.M. Siegbahn, J. Almlöf, A. Heiberg, B.O. Roos, J. Chem. Phys. 74 (1981) 2384.

    Article  CAS  Google Scholar 

  37. C.W. Bauschlicher and S.R. Langhoff, J. Chem. Phys. 86 (1987) 5595.

    Article  CAS  Google Scholar 

  38. See for instance J. Matos, B. Roos and P. Malmquist, J. Chem. Phys. 86 (1987) 1458.

    Article  Google Scholar 

  39. C. Daniel, M. Benard, A. Dedieu, R. Wiest and A. Veillard, J. Phys. Chem. 88 (1984) 4805.

    Article  CAS  Google Scholar 

  40. R.L. Martin and P.J. Hay, J. Chem. Phys. 75 (1981) 4539.

    Article  CAS  Google Scholar 

  41. K.S. Pitzer, Acc. Chem. Res. 12 (1979) 271.

    Article  CAS  Google Scholar 

  42. T.J. Barton, R. Grinter, A.J. Thomson, B. Davies and M. Poliakoff, J.C.S. Chem. Commun. (1977) 841.

    Google Scholar 

  43. M. Poliakoff and J.J. Turner, J. Chem. Soc. Dalt. Trans. (1974) 2276.

    Google Scholar 

  44. R.L. Sweany and F.N. Russell, Organornetallics 7 (1988) 719.

    Article  CAS  Google Scholar 

  45. L.A. Barnes, M. Rosi and C.W. Bauschlicher, J. Chem. Phys. 94 (1991) 2031.

    Article  CAS  Google Scholar 

  46. K.E. Lewis, D.M. Golden and G.P. Smith, J. Am. Chem. Soc. 106 (1984) 3905.

    Article  CAS  Google Scholar 

  47. F. Ungvary, J. Organomet. Chem. 36 (1972) 363.

    Article  CAS  Google Scholar 

  48. L. Versluis, T. Ziegler, E.J. Baerends and W. Ravenek, J. Am. Chem. Soc. 111 (1989) 2018.

    Article  CAS  Google Scholar 

  49. N.A. Beach and H.B. Gray, J. Am. Chem. Soc. 90 (1968) 5713.

    Article  CAS  Google Scholar 

  50. C. Daniel and A. Strich, unpublished results.

    Google Scholar 

  51. C. Daniel, Thèse de Doctorat d′Etat, Strasbourg, 1985.

    Google Scholar 

  52. J.T. Yardley, B. Gitlin, G. Nathanson and A.M. Rosan, J. Chem. Phys. 74 (1981) 370.

    Article  CAS  Google Scholar 

  53. T.A. Seder, A.J. Ouderkirk and E. Weitz, J. Chem. Phys. 85 (1986) 1977.

    Article  CAS  Google Scholar 

  54. A. Marquez, C. Daniel and J. Fernandez, submitted for publication.

    Google Scholar 

  55. C. Daniel, to be published.

    Google Scholar 

  56. G.B. Blakney and W.F. Allen, Inorg. Chem. 10 (1971) 2763.

    Article  CAS  Google Scholar 

  57. R.L. Sweany, private communication.

    Google Scholar 

  58. R.L. Sweany, in ″Transition Metal Hydrides″, A. Dedieu ed., Verlag, NewYork, in press.

    Google Scholar 

  59. R. Guilard, A. Zrineh, A. Tabard, A. Hendo, B.C. Han, C. Lecomte, M. Souhassou, A. Habbou, M. Ferhat and K.M. Kadish, Inorg. Chem. 29 (1990) 4476.

    Article  CAS  Google Scholar 

  60. D.C. Rawlings, E.R. Davidson and M. Gouterman, Int. J. Quantum Chem. 26 (1984) 237, 251.

    Article  CAS  Google Scholar 

  61. D.C. Rawlings, M. Gouterman, E.R. Davidson and D. Feller, Int. J. Quantum Chem. 28 (1985) 773, 797, 823.

    Article  CAS  Google Scholar 

  62. U. Nagashima, T. Takada and K. Ohno, J. Chem. Phys. 85 (1986) 4524.

    Article  CAS  Google Scholar 

  63. P.J. Hay, J. Am. Chem. Soc. 100 (1978) 2411.

    Article  CAS  Google Scholar 

  64. J.K. Burdett, J.M. Grzybowski, R.N. Perutz, M. Poliakoff, J.J. Turner and R.F. Turner, Inorg. Chem. 75 (1978) 147.

    Article  Google Scholar 

  65. N. Rösch, M. Kotzian, H. Jörg, H. Schroder, B. Rager and S. Metev, J. Am. Chem. Soc. 108 (1986) 4238.

    Article  Google Scholar 

  66. N. Rösch, H. Jörg and M. Kotzian, J. Chem. Phys. 86 (1987) 4038.

    Article  Google Scholar 

  67. B.H. Weiller and E.R. Grant, J. Am. Chem. Soc. 109 (1987) 1252.

    Article  CAS  Google Scholar 

  68. B.H. Weiller and E.R. Grant, J. Phys. Chem. 92 (1988) 1458.

    Article  CAS  Google Scholar 

  69. M.F. Gregory, S.A. Jackson, M. Poliakoff and J.J. Turner, J. Chem. Soc. Chem. Commun (1986) 1175.

    Google Scholar 

  70. S.T. Belt, D.W. Ryba and P.C. Ford, Inorg. Chem. 29 (1990) 3633.

    Article  CAS  Google Scholar 

  71. R.L. Sweany, J. Am. Chem. Soc. 103 (1981) 2410.

    Article  CAS  Google Scholar 

  72. A. Veillard, Chem. Phys. Let. 170 (1990) 441.

    Article  CAS  Google Scholar 

  73. C. Daniel and A. Veillard, in ″Transition metal hydrides″ A. Dedieu ed., Verlag Chemie, New-York, 1991.

    Google Scholar 

  74. G.L. Geoffroy and M.G. Bradley, Inorg. Chem 16 (1978) 2410.

    Article  Google Scholar 

  75. J. Chetwynd-Talbot, P. Grebenik and R.N. Perutz, Inorg. Chem. 21 (1982) 3647.

    Article  CAS  Google Scholar 

  76. G.L. Geoffroy and M.G. Bradley, Inorg. Chem. 16 (1977) 744.

    Article  CAS  Google Scholar 

  77. D.A. Wink and P.C. Ford, J. Am. Chem. Soc. 108 (1986) 4838.

    Article  CAS  Google Scholar 

  78. R. Pierantozzi and G.L. Geoffroy, Inorg. Chem. 19 (1980) 1821.

    Article  CAS  Google Scholar 

  79. R.K. Upmacis, G.E. Gadd, M. Poliakoff, M.B. Simpson, J.J. Turner, R. Whyman and A.F. Simpson, J. Chem. Soc., Chem. Commun. (1985) 27.

    Google Scholar 

  80. R.L. Sweany, M.A. Polito and A. Moroz, Organometallics 8 (1989) 2305.

    Article  CAS  Google Scholar 

  81. R.L. Sweany, Inorg. Chem. 19 (1980) 3512.

    Article  CAS  Google Scholar 

  82. References may be found in Ref. 15.

    Google Scholar 

  83. H.G. Alt, Angew. Chem. Int. Ed. Engl. 23 (1984) 766.

    Article  Google Scholar 

  84. C.L. Reichel and M.S. Wrighton, Inorg. Chem. 19 (1980) 3858.

    Article  CAS  Google Scholar 

  85. A. Becalska and R.H. Hill, J. Am. Chem. Soc. 111 (1989) 4346.

    Article  CAS  Google Scholar 

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Author information

Authors and Affiliations

  1. UPR 139 du CNRS, Institut Le Bel, 4, Rue Blaise Pascal, Strasbourg, France, 67000

    Alain Veillard

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  1. Alain Veillard
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Editors and Affiliations

  1. Laboratoire de Chimie Théorique Institut de Chimie, Université Louis Pasteur, 1, rue Blaise Pascal, BP 296, 67008, Strasbourg, France

    Elise Kochanski (Director) (Director)

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Veillard, A. (1992). Photochemistry of Organometallics : Quantum Chemical Approach. In: Kochanski, E. (eds) Photoprocesses in Transition Metal Complexes, Biosystems and Other Molecules. Experiment and Theory. NATO ASI Series, vol 376. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-2698-4_8

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  • DOI: https://doi.org/10.1007/978-94-011-2698-4_8

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-94-010-5195-8

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