Octacarbonyl diiron. A density functional study

Journal of the American Chemical Society

Volumn 118, Issue 19, 1996, Pages 4631-4635

  Jacobsen, Heiko ^a   Ziegler, Tom ^a  

^a UNIVERSITY OF CALGARY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

IRON COMPLEX;

ARTICLE; DRUG STRUCTURE; MOLECULAR DYNAMICS;

EID: 0029950670     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja953509g     Document Type: Article

References (28)

1. Hoffmann, R. Angew. Chem., Int. Ed. Engl. 1982, 21, 711.
2. (a) West, R. Angew. Chem., Int. Ed. Engl. 1987, 26, 1201.
3. (b) Tsumaraya, T.; Batcheller, S. A.; Masamune, S. Angew. Chem., Int. Ed. Engl. 1991, 30, 902.
4. Kutzelrusg, W. Angew Chem., Int. Ed. Engl. 1984, 23, 272.
5. (a) Jacobsen, H., Ziegler, T. J. Am. Chem. Soc. 1994, 116, 3667.
6. (b) Jacobsen, H.; Ziegler, T. J. Comments Inorg. Chem. 1995, 17, 301.
7. (c) Jacobsen, H.; Ziegler, T. Organometallics 1995, 14, 234.
8. (d) Jacobsen, H.; Ziegler, T. Inorg. Chem. In press.
9. Poliakoff, M.; Turner, J. J. J. Chem. Soc. A 1971, 2043.
10. Fletcher, S. C.; Poliakoff, M.; Turner, J. J. Inorg. Chem. 1986, 25, 3597.
11. (a) Ziegler, T. Pure. Appl. Chem. 1991, 28, 1271.
12. (b) Ziegler, T. Chem. Rev. 1991, 91, 651.
13. (c) Ziegler, T. Can. J. Chem. 1995, 73, 743.
14. Vosko, S. J : Wilk, M., Nussair, M. Can. J. Phys. 1980, 58, 1200.
15. (a) Becke, A. J. Chem. Phys. 1986, 84, 4524.
16. (b) Becke, A. J. Chem. Phys. 1988, 88, 1053.
17. (c) Becke, A. Phys. Rev. 1988, A38, 3098.
18. (a) Perdew, J. P. Phys. s. Rev. 1986. B33, 8822.
19. (b) Perdew, J. P. Phys. Rev. 1986, B34, 7406.
20. (11)(a) Baerends, E. J.; Ellis, D. E.; Ros, P. E. Chem. Phys. 1973, 2, 41.
21. (b) teVelde, G., Baerends, E. J. J. Comp. Phys. 1992, 99, 84.
22. Cotton, F. A., Troup, J. M. J. Chem. Soc. A 1974, 800.
23. Lukehart, C. M. Fundamental Transition Metal Organometallic Chemistry; Brooks/Cole: Montery. CA, 1985: p 78.
24. (a) Baerends, E. J.; Roozendaal, A. NATO ASI 1986, C176, 159.
25. (b) Ziegler, T. NATO ASI 1991, C378, 367.
26. Li, J.; Schreckenbach, G.; Ziesler, T. J. Am Chem. Soc. 1995, 117, 486.
27. (a) Noack, K. HeIi: Chim. Acta 1964, 47, 1064.
28. (b) Noack, K. Helv. Chim. Acta 1964, 47, 1555.