Structure-activity relationship in olefin polymerization catalysis: Is entropy the key?

Journal of the American Chemical Society

Volumn 132, Issue 39, 2010, Pages 13651-13653

  Ciancaleoni, Gianluca ^a,b   Fraldi, Natascia ^b,c   Budzelaar, Peter H M ^b,d   Busico, Vincenzo ^b,c   Cipullo, Roberta ^b,c   MacChioni, Alceo ^a,b  

^a UNIVERSITY OF PERUGIA   (Italy)

^b UNIVERSITY OF NAPLES FEDERICO II   (Italy)

^c UNIVERSITY OF MANITOBA   (Canada)

^d DUTCH POLYMER INSTITUTE DPI   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION PARAMETER; CHAIN PROPAGATION; ENTROPY LOSS; LITERATURE DATA; MONOMER CAPTURE; OLEFIN POLYMERIZATION CATALYSIS; OLEFIN POLYMERIZATION CATALYSTS; PROPAGATION RATE; PROPENE POLYMERIZATION; STRONG CORRELATION; STRUCTURE ACTIVITY RELATIONSHIPS;

CATALYSTS; ENTROPY; POLYMERIZATION; PROPYLENE; ZIRCONIUM;

POLYMERS;

ALKENE;

ARTICLE; CATALYSIS; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ENTROPY; POLYMERIZATION; STRUCTURE ACTIVITY RELATION;

ALKENES; CATALYSIS; COMPUTER SIMULATION; ENTROPY; MOLECULAR CONFORMATION; ORGANOMETALLIC COMPOUNDS; ZIRCONIUM;

EID: 77957313074     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja105965x     Document Type: Article

References (23)

1. Kissin, Y. V. Isospecific Polymerization of Olefins; Springer-Verlag: New York, NY, 1985.
2. Keii, T., Terano, M., Kimura, K., and Ishii, K. Makromol. Chem., Rapid Commun. 1987, 8, 583
3. Terano, M., Kataoka, T., and Keii, T. J. Mol. Catal. 1989, 56, 203
4. Terano, M. and Kataoka, T. Makromol. Chem., Rapid Commun. 1989, 10, 97
5. Mori, H., Tashino, K., and Terano, M. Macromol. Rapid Commun. 1995, 16, 651
6. Busico, V., Cipullo, R., and Esposito, V. Macromol. Rapid Commun. 1999, 20, 116
7. Song, F., Cannon, R. D., and Bochmann, M. J. Am. Chem. Soc. 2003, 125, 7641
8. Natta, G. and Pasquon, I. Adv. Catal. 1959, 11, 1
9. Doi, Y., Ueki, S., and Keii, T. Macromolecules 1979, 12, 814
10. Goodman, J. T. and Schrock, R. R. Organometallics 2001, 20, 5205
11. Cherian, A. E., Rose, J. M., Lobkovsky, E. B., and Coates, G. W. J. Am. Chem. Soc. 2005, 127, 13770
12. Liu, Z., Somsook, E., White, C. B., Rosaaen, K. A., and Landis, C. R. J. Am. Chem. Soc. 2001, 123, 11193
13. Tshuva, E. T., Goldberg, I., and Kol, M. J. Am. Chem. Soc. 2000, 122, 10706
14. Busico, V., Cipullo, R., Friederichs, N., Ronca, S., and Togrou, M. Macromolecules 2003, 36, 3806
15. Busico, V., Cipullo, R., Friederichs, N., Ronca, S., Talarico, G., Togrou, M., and Wang, B. Macromolecules 2004, 37, 8201
16. Busico, V., Cipullo, R., Pellecchia, R., Ronca, S., Roviello, G., and Talarico, G. Proc. Natl. Acad. Sci. U.S.A. 2006, 103, 15321
17. Cipullo, R., Busico, V., Fraldi, N., Pellecchia, R., and Talarico, G. Macromolecules 2009, 42, 3869
18. Busico, V., Cipullo, R., Cutillo, F., Friederichs, N., Ronca, S., and Wang, B. J. Am. Chem. Soc. 2003, 125, 12402
19. Ciancaleoni, G., Fraldi, N., Budzelaar, P. H. M., Busico, V., and Macchioni, A. Dalton Trans. 2009, 8824
20. 1H-EXSY NMR data suggest that the energy of the transition state is similar to that of C2 (to be published in due course).
21. Boor, J., Jr. Ziegler-Natta Catalysts and Polymerizations; Academic Press: NewYork, NY, 1979.
22. -] notation indicates a contact ion pair.
23. Lanza, G., Fragalà, I. L., and Marks, T. J. Organometallics 2002, 21, 5594