Ground State and Excited Stated Properties of Hexaamminechromium(III) Ion: A Density Functional Study

Inorganic Chemistry

Volumn 37, Issue 15, 1998, Pages 3842-3847

  Doclo, Karel ^a   De Corte, David ^a   Daul, Claude ^a   Güdel, Hans Ueli ^b  

^a UNIVERSITY OF FRIBOURG   (Switzerland)

^b UNIVERSITY OF BERN   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000917168     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic9715207     Document Type: Article

References (38)

1. Adamson, A. W. J. Phys. Chem. 1967, 71, 798.
2. Zink, J. I. J. Am. Chem. Soc. 1972, 94, 8039.
3. Zink, J. I. Inorg. Chem. 1973, 12, 1957.
4. Zink, J. I. J. Am. Chem. Soc. 1974, 96, 4464.
5. Zink, J. I. Inorg. Chem. 1975, 14, 446.
6. Vanquickenborne, L. G.; Ceulemans, A. J. Am. Chem. Soc. 1977, 99, 2208.
7. Vanquickenborne, L. G.; Ceulemans, A. J. Am. Chem. Soc. 1978, 100, 475.
8. Vanquickenborne, L. G.; Ceulemans, A. Inorg. Chem. 1979, 18, 3475.
9. Vanquickenborne, L. G.; Ceulemans, A. Coord. Chem. Rev. 1983, 48, 175.
10. Vanquickenborne, L. G.; Coussens, B.; Postelmans, D.; Ceulemans, A.; Pierloot, K. Inorg. Chem. 1991, 30, 2978.
11. Chermette, H.; Bellafrouh, K,; Goursot A.; Waltz, W. L. Chem. Phys. Lett. 1991, 184, 282.
12. Lee, S. H.; Waltz, W. L.; Demmer, D. R.; Walters, R. T. Inorg. Chem. 1985, 24, 1531.
13. Endicott, J. F.; Ramasami, T.; Tamilarasan, R.; Lessard, R.; Ryu, C. K.; Brubaker, G. R. Coord. Chem. Rev. 1987, 77, 1.
14. Forster, L. S. Chem. Rev. 1990, 90, 331.
15. Kirk, A. D. Coord. Chem. Rev. 1981, 39, 225.
16. Wilson, R. B.; Solomon, E. I. Inorg. Chem. 1978, 17, 1729.
17. Bellafrouh, K.; Daul, C.; Güdel, H. U.; Gilardoni, F.; Weber, J. Theor. Chim. Acta 1995, 91, 215.
18. Bellafrouh, K.; Daul, C.; Güdel, H. U.; Gilardoni, F.; Weber, J. J. Chem. Phys. 1996, 104, 7624.
19. Baerends, E. J.; Ellis, D. E.; Ros, P. Chem. Phys. 1973, 2, 41.
20. Baerends, E. J.; te Velde, B. J. Comput. Phys. 1992, 99, 84.
21. Vosko, S. H.; Wilk, L.; Nusair, M. Can. J. Phys. 1980, 58, 1200.
22. Becke, A. D. Phys. Rev. 1988, A38, 3089.
23. Perdew, J. P. Phys. Rev. 1986, B33, 8822.
24. Perdew, J. P. Phys. Rev. 1986, B34, 7406.
25. Versluis, L.; Ziegler, T. J. Chem. Phys. 1988, 88, 322.
26. Ziegler, T.; Rauk, A.; Baerends, E. J. Theor. Chim. Acta 1977, 43, 261.
27. Daul, C. Int. J. Quantum Chem. 1994, 52, 867.
28. Daul, C. A.; Doclo, K. G.; Stükl, A. C. Recent Advances in Density Functional Methods, Part II; World Scientific Publishing Company: Singapore, 1997.
29. Casida, M. E. Recent Advances in Density Functional Methods, Part I; World Scientific Publishing Company: Singapore, 1995.
30. Gross, E. K. U.; Dobson, J. F.; Petrsilka, M. Density Functional Theory II; Vol. 181, Topics in Current Chemistry; Springer: Berlin, 1996.
31. Casida, M. E.; Jamorski, C.; Casida, K. C.; Salahub, D. R. J. Chem. Phys. 1998, 108, 4439.
32. Petersilka, M.; Gross, E. K. U. Phys. Rev. Lett. 1996, 76, 1212.
33. Bauernschmitt, R.; Ahlrichs, R. Chem. Phys. Lett. 1996, 256, 454.
34. Goldfield, S. A.; Raymond, K. N. Inorg. Chem. 1971, 10, 2604.
35. Von Wieghardt, K.; Weiss, J. Acta Crystallogr. 1972, B28, 529.
36. Clegg, W.; Greenhalgh, D. A.; Straughan, B. P. J. Chem. Soc., Dalton Trans. 1975, 2591.
37. Clegg, W. Acta Crystallogr. 1976, B32, 2907.
38. Cook, M.; Karplus, M. Chem. Phys. Lett. 1981, 84, 565.