A DFT study of propylene polymerization using neutral salicyladiminato nickel(II) and palladium(II) as catalysts

Journal of Molecular Structure: THEOCHEM

Volumn 726, Issue 1-3, 2005, Pages 277-283

  Liu, Ying ^a,b   Zhang, Milin ^a   Drew, Michael G B ^c   Yang, Zhao Di ^b   Liu, Yue ^b  

^a HARBIN ENGINEERING UNIVERSITY   (China)

^b CHINA UNIVERSITY OF MINING AND TECHNOLOGY   (China)

^c UNIVERSITY OF READING   (United Kingdom)

Author keywords

Catalysis; Density functional theory; Nickel; Palladium; Salicyladimine

Indexed keywords

EID: 22744434149     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2005.04.027     Document Type: Article

References (32)

1. T.R. Younkin, E.F. Connor, J.I. Henderson, S.K. Friedrich, J.R.H. Grubbs, and D.A. Bansleben Science 460 2000 1750 460: ibid 1750
2. C. Wang, S. Friedish, T.R. Younkin, R.T. Li, R.H. Grubbs, D.A. Bansleben, and M.W. Day Organometallics 17 1998 3149
3. G.J.P. Britovesk, V.C. Gibson, and D.F. Wass Angew. Chem. Int. Ed. 38 1999 428
4. J.A. Ewen J. Am. Chem. Soc. 106 1984 6355
5. L.K. Johnson, C.M. Killian, and M. Brookhart J. Am. Chem. Soc. 117 1995 6414
6. D. Zhang, G-X. Jin, and N. Hu Chem. Commun. 2002 574
7. A. Michalak, and T. Ziegler Organometallics 22 2003 2069
8. T.K. Woo, and T. Ziegler J. Organomet. Chem. 591 1999 204
9. A. Michalak, and T. Ziegler Organometallics 22 2003 2660
10. A. Michalak, and T. Ziegler Organometallics 20 2001 1521
11. D.K. Deubel, and T. Ziegler Organometallics 21 2002 1603
12. M.S.W. Chan, L.Q. Deng, and T. Ziegler Organometallics 19 2000 2741
13. R.D.J. Froese, D.G. Musaev, and K. Morokuma J. Am. Chem. Soc. 120 1998 1581
14. D.G. Musaev, R.D.J. Froese, M. Svensson, and K. Morokuma J. Am. Chem. Soc. 119 1997 367
15. L. Wang, Y. Wang, Y. Yuan, J. Pan, C. Ye, L. Feng, Y. Qian, and J. Huang Euro. Polymer J. 37 2001 215
16. S. Yao, T. Shoji, Y. Iwamoto, and E. Kamei Comp. Theoretical. Polymer. Sci. 9 1999 41
17. J.C.W. Lohrenz, M. Buhl, M. Weber, and W. Thiel J. Organomet. Chem. 592 1999 11
18. J. Ramos, V. Cruz, A. Munoz-Escalona, and J. Martinez-Salazar Polymer 41 2000 6161
19. S. Matsui, and T. Fujita Catalysis Today 66 2001 63
20. Z.T. Xu, K. Vanka, and T. Ziegler Organometallics 23 2004 104
21. T.K. Firman, and T. Ziegler J. Organomet. Chem. 635 2001 153
22. C. Bekir, C. Engin, M. Brookhart, and P.S. White J. Mol. Cat. 142 1999 101
23. G. Talarico, P.H.M. Budzelaar, V. Barone, and C. Adamo Chem. Phys. Lett. 329 2000 99
24. M.S.W. Chan, L.Q. Deng, and T. Ziegler Organometallics 19 2000 2741
25. Y. Liu, Z.-D. Yang, and Y. Liu Acta Chim Sinica 61 2003 1528
26. Y. Liu, Y. Liu, M.G.B. Drew, and J.-W. Liu Chin. J. Chem. 21 2003 481
27. Y. Liu, J.-W. Liu, and X.-Z. Yang Acta Phys Chim. Sin. 18 2002 1068
28. C.-B. Che, H. Zhang, X. Zhang, Y. Liu, and B. Liu J. Phys. Chem. A 107 2003 2929
29. A.D. Becke J. Chem. Phys. 98 1993 5648
30. P.J. Hay, and W.R. Wadt J. Chem. Phys. 82 1985 299
31. M.J. Frisch, G.W. Trucks, H.B. Schlegel, et al., gaussian 98, revision-A.11.2, Gaussian, Inc., Pittsburgh, PA, 2001.
32. Y. Liu, Q. Wang, Y. Liu, and X.-Z. Yang Chem. Phys. Lett. 373 2003 338