Utility of the Semiempirical INDO/1 Method for the Calculation of the Geometries of Second-Row Transition-Metal Species

Inorganic Chemistry

Volumn 29, Issue 1, 1990, Pages 1-3

  Anderson, Wayne P ^a   Cundari, Thomas R ^a   Drago, Russell S ^a   Zerner, Michael C ^a  

^a UNIVERSITY OF FLORIDA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0002240129     PISSN: 00201669     EISSN: 1520510X     Source Type: Journal    
DOI: 10.1021/ic00326a001     Document Type: Letter

References (35)

1. Whangbo, M.-H.; Evain, M.; Beno, M. A.; Williams, J. M. Inorg. Chem. 1987, 26, 1831.
2. Melnik, M.; van Lier, J. E. Coord. Chem. Reo. 1987, 77, 275.
3. Mimoun, H.; Seree de Roch, I.; Sajus, L. Tetrahedron 1970, 26, 37.
4. Dobson, J. C.; Seok, W. K.; Meyer, T. J. Inorg. Chem. 1986, 25, 1513.
5. Cotton, F. A.; Wilkinson, G. Advanced Inorganic Chemistry, 3rd ed.; Wiley: New York, 1972; p 790.
6. Cotton, F. A.; Wilkinson, G. Advanced Inorganic Chemistry, 3rd ed.; Wiley: New York, 1972; p 797.
7. Some of these problems are discussed in: Quantum Chemistry: The Challenge of Transition Metals and Coordination Chemistry, Veillard, A., Ed.; Reidel: Dordrecht, The Netherlands, 1986.
8. Salahub, D.; Zemer, M. C. The Challenge of d and f Electrons. ACS Proceedings, 1989.
9. Pople, J. A.; Beveridge, D. L. Approximate Molecular Orbital Theory, McGraw-Hill: New York, 1970.
10. Pople, J. A.; Dobosh, P. A.; Beveridge, D. L. J. Chem. Phys. 1967, 47, 2026.
11. Zemer, M. C.; Loew, G.; Mueller-Westerhoff, U. J. Am. Chem. Soc. 1980, 102, 589.
12. Bacon, A. D.; Zemer, M. C. Theor. Chim. Acta 1979, 52, 21.
13. Anderson, W.; Edwards, W. D.; Zerner, M. C. Inorg. Chem. 1986, 25, 2728.
14. Anderson, W. P.; Cundari, T. R.; Drago, R. S.; Zerner, M. C. Manuscript in preparation.
15. Head, J. D.; Zerner, M. C. Chem. Phys. Lett. 1985, 122, 264.
16. Head, J. D.; Zerner, M. C. Chem. Phys. Lett. 1986, 131, 359.
17. Sadlej, L. Semi-Empirical Methods of Quantum Chemistry, Wiley: New York, 1985.
18. Clark, T. Handbook of Computational Chemistry, Wiley: New York, 1985 and references therein.
19. Krogh-Jespersen, K.; Westbrook, J. D.; Potenza, J. A.; Schugar, H. J. J. Am. Chem. Soc. 1987, 109, 7025 (for Ru).
20. van der Lugt, W. T. A. M. Int. J. Quantum Chem. 1972, 6, 859 (for Rh).
21. Sakaki, S.; Nishikawa, M.; Tsuru, N.; Yamashita, T.; Ohyoshi, A. J. Inorg. Nucl. Chem. 1979, 41, 673.
22. Pietro, W. J.; Hehre, W. J. J. Comput. Chem. 1983, 4, 241.
23. Pyykkö, P. Chem. Rev. 1988, 88, 563.
24. Huber, K. B.; Herzberg, G. Molecular Spectra and Molecular Structure; Van Nostrand, New York, 1979; Part IV.
25. Sutton, L. E. Interatomic Distances; Chemical Society: London, 1958; p S8.
26. Roch, M.; Weber, J.; Williams, A. F. Inorg. Chem. 1984, 23, 4571.
27. Bauschlicher, C. W.; Nelin, C. J.; Bagus, P. S. J. Chem. Phys. 1985, 82, 3265.
28. Krauss, M.; Stevens, W. J. J. Chem. Phys. 1985, 82, 5584.
29. Goddard, W. A.; Carter, E. A. J. Phys. Chem. 1988, 92, 2874.
30. Norman, J. G.; Kolari, H. J. J. Am. Chem. Soc. 1978, 100, 791.
31. Burdett, J. K. Molecular Shapes; Wiley: New York, 1980; p 65.
32. Cundari, T. R.; Zerner, M. C.; Drago, R. S. Inorg. Chem. 1988, 27, 4239.
33. Whangbo, M.-H.; Burdett, J. K.; Albright, T. Orbital Interactions in Chemistry, Wiley: New York, 1970.
34. Hoffmann, R.; Beier, B. F.; Muetterties, E. L.; Rossi, A. R. Inorg. Chem. 1977, 6, 55.
35. Purcell, K. F.; Kotz, J. C. Inorganic Chemistry; Saunders: Philadelphia, PA, 1977; p 704.