Spin forbidden chemical reactions of transition metal compounds. New ideas and new computational challenges

Chemical Society Reviews

Volumn 32, Issue 1, 2003, Pages 1-8

  Poli, Rinaldo ^a   Harvey, Jeremy N ^b  

^a UNIVERSITÉ DE BOURGOGNE   (France)

^b UNIVERSITY OF BRISTOL   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

REVIEW;

EID: 0037267025     PISSN: 03060012     EISSN: None     Source Type: Journal    
DOI: 10.1039/b200675h     Document Type: Review

References (32)

1. P. Gütlich, Y. Garcia and H. A. Goodwin, Chem. Soc. Rev., 2000, 29, 419.
2. R. Poli, Acc. Chem. Res., 1997, 30, 494.
3. D. Schröder, S. Shaik and H. Schwarz, Acc. Chem. Res., 2000, 33, 139 and references therein.
4. M. Filatov, N. Harris and S. Shaik, Angew. Chem., Int. Ed., 1999, 38, 3510.
5. Details of DFT and other electronic structure methods can be found in F. Jensen, An Introduction to Computational Chemistry, John Wiley, 1998.
6. E. R. Davidson (Guest Editor), Computational Transition Metal Chemistry, in Chem. Rev., 2000, 100, issue 2.
7. N. Koga and K. Morokuma, Chem. Phys. Lett., 1985, 119, 371.
8. J. N. Harvey, M. Aschi, H. Schwarz and W. Koch, Theor. Chem. Acc., 1998, 99, 95 and references therein.
9. (a) For previous reviews, see: J. N. Harvey, R. Poli and K. M. Smith, Coord. Chem. Rev., 2002, in press
10. (b) J. N. Harvey, in Computational Organometallic Chemistry, ed. T. R. Cundari, Marcel Dekker, New York, Basel, 2001.
11. A. Cole, J. C. Fettinger, D. W. Keogh and R. Poli, Inorg. Chim. Acta, 1995, 240, 355.
12. K. M. Smith, R. Poli and J. N. Harvey, New J. Chem., 2000, 24, 77.
13. D. W. Keogh and R. Poli, J. Am. Chem. Soc., 1997, 119, 2516.
14. V. Jensen and R. Poli, to be published.
15. J. L. Detrich, O. M. Reinaud, A. L. Rheingold and K. H. Theopold, J. Am. Chem. Soc., 1995, 117, 11745.
16. (a) R. J. Ryther and E. Weitz, J. Phys. Chem., 1991, 95, 9841;
17. (b) D. L. Cedeno, E. Weitz and A. Berces, J. Phys. Chem. A, 2001, 105, 3773.
18. J. N. Harvey, J. Am. Chem. Soc., 2000, 122, 12401.
19. J. N. Harvey, to be published.
20. J. C. Green, J. N. Harvey and R. Poli, J. Chem. Soc., Dalton Trans., 2002, 1861.
21. B. A. Arndtsen, R. G. Bergman, T. A. Mobely and T. H. Peterson, Acc. Chem. Res., 1995, 28, 154.
22. P. O. Stoutland and R. G. Bergman, J. Am. Chem. Soc., 1988, 110, 5732.
23. J. Silvestre, M. J. Calhorda, R. Hoffmann, P. O. Stoutland and R. G. Bergman, Organometallics, 1986, 5, 1841.
24. K. M. Smith, R. Poli and J. N. Harvey, Chem. Eur. J., 2001, 7, 1679.
25. For a discussion ofab initio studies of methylene, see: C. D. Sherrill, M. L. Leininger, T. J. Van Huis and H. F. Schaefer, J. Chem. Phys., 1998, 108, 1040.
26. D. Das and S. L. Whittenburg, J. Mol. Struct. (Theochem), 1999, 492, 175.
27. V. R. Jensen and W. Thiel, Organometallics, 2001, 21, 4852.
28. H. Paulsen, L. Duelund, H. Winkler, H. Toftlund and H. X. Trautwein, Inorg. Chem., 2001, 40, 2201.
29. M. Reiher, O. Salomon and B. A. Hess, Theor. Chem. Acc., 2001, 107, 48.
30. D. V. Khoroshun, D. G. Musaev, T. Vreven and K. Morokuma, Organometallics, 2001, 20, 2007.
31. D. M. Ball, C. Buda, A. M. Gillespie, D. P. White and T. R. Cundari, Inorg. Chem., 2002, 41, 152.
32. J. C. Fettinger, D. W. Keogh, H.-B. Kraatz and R. Poli, Organometallics, 1996, 15, 5489.