Hydroesterification of ethylene catalyzed by Pd(II) complexes: An ab initio MO study

Journal of Organometallic Chemistry

Volumn 542, Issue 2, 1997, Pages 185-189

  Kawana, Michiyo ^a   Nakamura, Shinichiro ^a   Watanabe, Eiichi ^a   Urata, Hisao ^a  

^a MITSUBISHI CHEMICAL CORPORATION   (Japan)

Author keywords

Ab initio MO; Hydroesterification; Pd(II); Pd H

Indexed keywords

EID: 0031580834     PISSN: 0022328X     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-328X(97)00092-2     Document Type: Article

References (19)

1. [1] J.P. Collman, L.S. Hegedus, J.R. Norton, R.G. Finke, Principles and Applications of Organotransition Metal Chemistry, University Science Books, Mill Valley, CA, 1987.
2. [2] D. Milstein, Acc. Chem. Res. 21 (1988) 428.
3. [3] G. Cabinato, L. Toniolo, J. Organomet. Chem. 398 (1990) 187.
4. [4] T. Fuchikami, K. Ohishi, I. Ojima, J. Org. Chem. 48 (1983) 3803.
5. [5] Japanese Patent, 1984 Kokai-59082336, Shell. Japanese Patent, 1987 Kokai-62-161737, Mitsubishi Kasei Corporation.
6. [6] K. Kudo, K. Mitsuhashi, S. Mori, K. Komatsu, N. Sugita, Chem. Soc. Jpn. Chem. Lett. (1993) 1615.
7. [7] M. J. Frisch, G.W. Trucks, M. Head-Gordon, P.M.W. Gill, M.W. Wong, J.B. Foresman, B.G. Johnson, H.B. Schlegel, M.A. Robb, E.S. Replogle, R. Gomperts, J.L. Andres, K. Raghavachari, J.S. Binkley, C. Gonzalez, R.L. Martin, D.J. Fox, D.J. Defrees, J. Baker, J.J.P. Stewart, J.A. Pople, Gaussian 92, Revision C.4, Gaussian, Inc., Pittsburgh, PA, 1992.
8. [8] T.H. Dunning, P.J. Hay, Modern Theoretical Chemistry, Plenum, New York, 1976, Chapter 1, pp. 1-28.
9. [9] P.J. Hay, W.R. Wadt, J. Chem. Phys. 82 (1985) 270. W.R. Wadt, P.J. Hay, J. Chem. Phys. 82 (1985) 284. P.J. Hay, W.R. Wadt, J. Chem. Phys. 82 (1985) 299.
10. [9] P.J. Hay, W.R. Wadt, J. Chem. Phys. 82 (1985) 270. W.R. Wadt, P.J. Hay, J. Chem. Phys. 82 (1985) 284. P.J. Hay, W.R. Wadt, J. Chem. Phys. 82 (1985) 299.
11. [9] P.J. Hay, W.R. Wadt, J. Chem. Phys. 82 (1985) 270. W.R. Wadt, P.J. Hay, J. Chem. Phys. 82 (1985) 284. P.J. Hay, W.R. Wadt, J. Chem. Phys. 82 (1985) 299.
12. [10] C. Møller, M.S. Plesset, Phys. Rev. 46 (1934) 618.
13. [11] P.J. Hay, New. J. Chem. 15 (1991) 735-740.
14. [12] G.P.C.M. Dekker, C.J. Elsevier, K. Vieze, P.W.N.M. van Leeuwen, C.F. Roobeek, J. Organomet. Chem. 430 (1992) 357.
15. [13] S. Otsuka, A. Nakamura, T. Yoshida, M. Naruto, K. Ataka, J. Am. Chem. Soc. 95 (1973) 3180.
16. [14] R.F. Heck, J. Am. Chem. Soc. 94 (1972) 2712.
17. [15] N. Koga, K. Morokuma, New. J. Chem. 15 (1991) 749 and references cited therein.
18. [16] N. Koga, K. Morokuma, Theoretical Aspects of Homogeneous Catalysis, Dordrecht, The Netherlands, Kluwer, 1995, pp. 65-91, 93-113.
19. [17] I.B. Bersuker, Electronic Structure and Properties of Transition Metal Compounds, Wiley, New York, 1996, pp. 603-637.