Electronic Structure of f1 Actinide Complexes. 1. Nonrelativistic and Relativistic Calculations of the Optical Transition Energies of AnX6q‒ Complexes

Inorganic Chemistry

Volumn 34, Issue 10, 1995, Pages 2735-2744

  Kaltsoyannis, Nikolas ^a   Bursten, Bruce E ^a  

^a OHIO STATE UNIVERSITY   (United States)

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EID: 33751155833     PISSN: 00201669     EISSN: 1520510X     Source Type: Journal    
DOI: 10.1021/ic00114a036     Document Type: Article

References (45)

1. Pepper, M.; Bursten, B. E. Chem. Rev. 1991, 91, 719.
2. Ellis, D. E. J. Phys. B: Atom. Molec. Phys. 1977, 10, 1.
3. Schneider, W. F. Ph.D. Dissertation, The Ohio State University, 1991.
4. Schneider, W. F.; Strittmatter, R. J.; Bursten, B. E.; Ellis, D. E. In Density Functional Methods in Chemistry; Labanowski, J. K., And-zelm, J. W., Eds.; Springer-Verlag: New York, 1991; Chapter 16.
5. Kot, W. K. Ph.D. Dissertation, University of California, Berkeley, CA, 1991.
6. Blake, P. C.; Lappert, M. F.; Atwood, J. L.; Zhang, J. J. Chem. Soc, Chem. Commun. 1986, 1148.
7. Starks, D. F.; Parsons, T. C.; Streitwieser, A.; Edelstein, N. M. Inorg. Chem. 1974, 13, 1307.
8. Brennan, J. G.; Andersen, R. A. J. Am. Chem. Soc. 1985, 107, 514.
9. Pitzer, K.S., Acc. Chem. Res. 1979, S, 271.
10. Pyykkö, P. Acc. Chem. Res. 1979, 8, 276.
11. Pyykkö, P. Chem. Rev. 1988, 88, 563.
12. Grant, I. P. Adv. Phys. 1970, 19, 747.
13. Grant, I. P. Methods in Computational Chemistry, Relativistic Effects in Atoms and Molecules; Plenum Press: New York, 1988; Vol. 2, Chapter 1.
14. Slater, J. C. Phys. Rev. 1951, 81, 385.
15. Slater, J. C. Adv. Quantum Chem. 1972, 6, 1.
16. Hedin L.; Lundqvist, B. I. J. Phys. C: Solid State Phys. 1971, 4, 2064.
17. Delley, B.; Ellis, D. E. J. Chem. Phys. 1982, 76, 1949.
18. Mulliken, R. S. J. Chem. Phys. 1955, 23, 1833, 1841, 2338, 2343.
19. Slater, J. C. The Calculation of Molecular Orbitals; Wiley: New York, 1979.
20. Kimura, M.; Schomaker, V.; Smith, D.; Weinstock, B. J. Chem. Phys. 1968, 48, 4001.
21. Shannon, R. D. Acta Crystallogr. 1976, A32, 751.
22. Pauling, L. The Nature of the Chemical Bond, 3rd ed.; Cornell University Press: Ithaca, NY, 1960.
23. Eisenstein, J. C.; Pryce, M. L. H. Proc. R. Soc. London, Ser. A 1960, 255, 181.
24. Steindler, M. J.; Gerding, T. J. Spectrochim. Acta 1966, 22, 1197.
25. Mulford, R. N.; Dewey, H. J.; Barefield, J. E. J. Chem. Phys. 1991, 94, 4790.
26. Ryan, J. L. J. Inorg. Nucl. Chem. 1971, 33, 153.
27. Brown, D.; Whittaker, B.; Edelstein, N. M. Inorg. Chem. 1974, 13, 1805.
28. Edelstein, N. M.; Brown, D.; Whittaker, B. Inorg. Chem. 1974, 13, 563.
29. Brown, D.; Lidster, P.; Whittaker, B.; Edelstein, N. M. Inorg. Chem. 1976, 75, 511.
30. Edelstein, N.; Krupa, J. C.; Naik, R. C.; Rajnak, K.; Whittaker, B.; Brown, D. Inorg. Chem. 1988, 27, 3186.
31. Edelstein, N.; Kot, W. K.; Krupa, J.-C. J. Chem. Phys. 1992, 96, 1.
32. Edelstein, N. M.; Kot, W. K. J. Alloys Comp. 1993, 193, 82.
33. Hehler, D.; Kot, W. K.; Edelstein, N. M. J. Chem. Phys. 1991, 94, 942.
34. Boring, M.; Wood, J. H. J. Chem. Phys. 1974, 63, 638.
35. Hay, P. J.; Wadt, W. R.; Kahn, L. R.; Raffenetti, R. C.; Phillips, D. H. J. Chem. Phys. 1979, 71, 1767.
36. Kahn, L. R. Int. J. Quantum Chem. 1984, 25, 149.
37. Thornton, G.; Rösch, N.; Edelstein, N. Inorg. Chem. 1980, 19, 1304.
38. Case, D. A. J. Chem. Phys. 1985, 83, 5792.
39. Koelling, D. D.; Ellis, D. E.; Bartlett, R. J. J. Chem. Phys. 1976, 65, 3331.
40. Kocab, F. J. M.S. Thesis, The Ohio State University, 1990.
41. Desclaux, J.-P. At. Data Nucl. Data Tables 1973, 12, 312.
42. Pyykkö, P.; Laaksonen, L. J. Phys. Chem. 1984, 88, 4892.
43. Salthouse, J. A.; Ware, M. J. Point Group Character Tables and Related Data; Cambridge University Press: London, 1972.
44. Cotton, F. A. Chemical Application of Group Theory, 3rd ed.; Wiley: New York, 1990.
45. Reisfeld, M. J.; Crosby, G. A. Inorg. Chem. 1965, 4, 65.