Theoretical model for the prediction of electronic spectra of lanthanide complexes

Journal of the Chemical Society - Faraday Transactions

Volumn 92, Issue 11, 1996, Pages 1835-1839

  De Andrade, Antonio V M ^a   Longo, Ricardo L ^a   Simas, Alfredo M ^a   De Sá, Gilberto F ^a  

^a FEDERAL UNIVERSITY OF PERNAMBUCO   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33748619236     PISSN: 09565000     EISSN: None     Source Type: Journal    
DOI: 10.1039/FT9969201835     Document Type: Article

References (30)

1. N. Sabbatini, M. Guardigli and J-M. Lehn, Coord. Chem. Rev., 1993, 123, 201.
2. G. F. de Sá, J. H. A. Nunes, Z. M. Wang and G. R. Chopin, J. Alloys Comp., 1993, 196, 17.
3. (a) J-C. Bünzli, in Lanthanide Probes in Life, Medical and Environmental Science, ed. G. R. Choppin and J-C. Bünzli, Elsevier, Amsterdam, 1989;
4. (b) W. M. de Azevêdo, P. N. M. dos Anjos, O. L. Malta and G. F. de Sá, J. Luminescence, 1994, 60-61, 493.
5. (a) T. Tsubomura, K. Yasaku, T. Sato and M. Morita, Inorg. Chem., 1992, 31, 447;
6. (b) V. Alexander, Chem. Rev., 1995, 95, 273.
7. G. F. de Sá, F. R. G. e Silva and O. L. Malta, J. Alloys Comp., 1994, 207-208, 457.
8. (a) The Challenge of d and f Electrons. Theory and Computation, ed. D. R. Salahub and M. C. Zerner, ACS, Washington, 1989;
9. (b) M. G. Cory, S. Köstineier, M. Kotzian, N. Rösch and M. C. Zerner, J. Chem. Phys., 1994, 100, 1353.
10. M. Kotzian, N. Rösch and M. C. Zerner, Int. J. Quantum Chem., 1991, S25, 545.
11. M. Kotzian, N. Rösch and M. C. Zerner, Theor. Chim. Acta, 1992, 81, 201.
12. M. Kotzian and N. Rösch, J. Mol. Spectrosc., 1991, 147, 346.
13. M. Kotzian and N. Rösch, J. Phys. Chem., 1992, 96, 7288.
14. J. C. Culberson, P. Knappe, N. Rösch and M. C. Zerner, Theor. Chim. Acta, 1987, 71, 21.
15. A. V. M. de Andrade, N. B. da Costa Jr., A. M. Simas and G. F. de Sá, Chem. Phys. Lett., 1994, 227, 349.
16. A. V. M. de Andrade, N. B. da Costa Jr., A. M. Simas and G. F. de Sá, J. Alloys Comp., 1995, 225, 55.
17. A. V. M. de Andrade, N. B. da Costa Jr., A. M. Simas and G. F. de Sá, in preparation.
18. M. B. Coolidge and J. J. P. Stewart, MOPAC Manual, Frank J. Seiler Research Laboratory, US Air Force Academy, CO, 1990.
19. M. J. S. Dewar, E. G. Zoebish, E. F. Healy and J. J. P. Stewart, J. Am. Chem. Soc., 1985, 107, 3902.
20. J. J. P. Stewart, J. Comp.-Aided Mol. Design, 1990, 4, 1.
21. J. E. Ridley and M. C. Zerner, Theor. Chim. Acta, 1973, 32, 111.
22. J. E. Ridley and M. C. Zerner, Theor. Chim. Acta, 1976, 42, 223.
23. M. C. Zerner, G. H. Loew, R. F. Kirchner and U. T. Mueller-Westerhoff, J. Am. Chem. Soc., 1980, 102, 589.
24. M. C. Zerner, ZINDO Manual, QTP, University of Florida, Gainesville, FL, 1990.
25. J. H. Van Vleck and V. F. Weisskopf, Rev. Mod. Phys., 1945, 17, 227.
26. (a) M. Karelson and M. C. Zerner, J. Am. Chem. Soc., 1990, 112, 9405;
27. (b) M. Karelson and M. C. Zerner, J. Phys. Chem., 1992, 96, 6949.
28. L. C. G. Freitas, R. L. Longo and A. M. Simas, J. Chem. Soc., Faraday Trans., 1992, 88, 189.
29. L. Asbrink, C. Fridh and E. Lindholm, Chem. Phys. Lett., 1977, 52, 63, 72.
30. L. Asbrink, C. Fridh and E. Lindholm, QCPE 12, 1980, p. 393.