Insights into homogeneous catalysis from first-principles theory: Density functional studies of inorganic cobalt complexes

Catalysis Today

Volumn 50, Issue 3-4, 1999, Pages 669-675

  Doren, D J ^a   Konecny, R ^a,b   Theopold, K H ^a  

^a UNIVERSITY OF DELAWARE   (United States)

^b Department of Molecular Biology and Genetics   (United States)

Author keywords

Cobalt complexes; DFT; First principles theory

Indexed keywords

EID: 0000786780     PISSN: 09205861     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0920-5861(98)00501-X     Document Type: Article

References (21)

1. S. Trofimenko, J.C. Calabrese, J.S. Thompson, Inorg. Chem. 26 (1987) 1507.
2. S. Trofimenko, Chem. Rev. 93 (1993) 943.
3. J.L. Detrich, R. Konecny, W.M. Vetter, D. Doren, A.L. Rheingold, K.H. Theopold, J. Am. Chem. Soc. 118 (1996) 1703.
4. A.J. Canty, A. Dedieu, H. Jin, A. Milet, M.K. Richmond, Organometallics 15 (1996) 2845.
5. A.H. Janowicz, R.G. Bergman, J. Am. Chem. Soc. 104 (1982) 352.
6. J.K. Hoyano, W.A.G. Graham, J. Am. Chem. Soc. 104 (1982) 3723.
7. J.K. Hoyano, A.D. McMaster, W.A.G. Graham, J. Am. Chem. Soc. 105 (1983) 7190.
8. A.H. Janowicz, R.G. Bergman, J. Am. Chem. Soc. 105 (1983) 3929.
9. W.D. Jones, F.J. Feher, J. Am. Chem. Soc. 106 (1984) 1650.
10. R.G. Bergman, Science 223 (1984) 902.
11. W.D. Jones, F.J. Feher, Acc. Chem. Res. 22 (1989) 91.
12. P. Hofmann, M. Padmanabhan, Organometallics 2 (1983) 1273.
13. O.M. Reinaud, K.H. Theopold, J. Am. Chem. Soc. 116 (1994) 6979.
14. S.J. Lippard, J.M. Berg, Principles of Bioinorganic Chemistry, University Science Books, Mill Valley, CA, 1994, p. 302 ff.
15. N. Kitajima, K. Fujisawa, Y. Moro-oka, J. Am. Chem. Soc. 111 (1989) 8975.
16. N. Kitajima, T. Koda, Y. Iwata, Y Moro-oka, J. Am. Chem. Soc. 112 (1990) 8833.
17. M.J. Baldwin, D.E. Root, J.E. Pate, K. Fujisawa, N. Kitajima, E.I. Solomon, J. Am. Chem. Soc. 114 (1992) 10421.
18. S. Mahapatra, J.A. Halfen, B.C. Wilkinson, G. Pan, C.J. Cramer, L. Que Jr., W.B. Tolman, J. Am. Chem. Soc. 117 (1995) 8865.
19. J.A. Halfen, S. Mahapatra, E.C. Wilkinson, S. Kaderli, V.G. Young Jr., L. Que Jr., A.D. Zuberbühler, W.B. Tolman, Science 271 (1996) 1397.
20. S. Mahapatra, J.A. Halfen, W.B. Tolman, J. Am. Chem. Soc. 118 (1996) 11575.
21. C.J. Cramer, B.A. Smith, W.B. Tolman, J. Am. Chem. Soc. 118 (1996) 11283.