The effect of substituents on dimer formation and cation-anion interaction in silicon bridged bisindenyl zirconocene propylene polymerization catalysts

Physical Chemistry Chemical Physics

Volumn 1, Issue 9, 1999, Pages 2373-2377

  Klesing, Armin ^a   Bettonville, Serge ^a  

^a SOLVAY S A   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

ANION; BISINDENYL ZIRCONOCENE PROPYLENE; CATION; SILICON; UNCLASSIFIED DRUG; ZIRCONIUM DERIVATIVE;

ARTICLE; CALCULATION; CATALYSIS; CATALYST; CHEMICAL REACTION; COMPLEX FORMATION; DIMERIZATION; ENTHALPY; GEOMETRY; MOLECULAR INTERACTION; POLYMERIZATION; REACTION ANALYSIS;

EID: 0033136606     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/a900433e     Document Type: Article

References (34)

1. 1 For leading reviews see (a) W. Kaminsky and M. Arndt, Adv. Polym. Sci., 1997, 127, 143;
2. (b) M. Bochmann, J. Chem. Soc., Dalton Trans., 1996, 255;
3. (c) H. H. Brintzinger, D. Fischer, R. Mülhaupt, B. Rieger and R. Waymouth, Angew. Chem., 1995, 107, 1255.
4. 2 For a list of references see (a) P. Margl, L. Deng and T. Ziegler, J. Am. Chem. Soc., 1998, 120, 5517;
5. (b) [1(c)];
6. (c) R. Fusco, L. Longo, A. Proto, F. Masi and F. Garbassi, Macromol. Rapid Commun., 1998, 19, 257 and references cited therein;
7. (d) G. Lanza, I. L. Fragalà and T. J. Marks, J. Am. Chem. Soc., 1998, 120, 8257;
8. (e) F. Bernardi, A. Bottoni and G. P. Miscione, Organometallics, 1998, 17, 16;
9. (f) T. Yoshida, N. Koga and K. Morokuma, Organometallics, 1995, 14, 746.
10. 3 W. Spaleck, M. Aulbach, B. Bachmann, F. Küber and A. Winter, Macromol. Symp., 1995, 89, 237.
11. 4 (a) P. A. Deck, C. L. Beswick and T. J. Marks, J. Am. Chem. Soc., 1998, 120, 1772 and references cited therein;
12. (b) T. Shiomura, T. Asanuma and N. Inoue, Macromol. Rapid Commun., 1996, 17, 9;
13. (c) S. Gürtzgen, R. Rieger and W. Uzick, Macromol. Symp., 1995, 97, 217;
14. (d) M. Bochmann and S. J. Lancaster, J. Organomet. Chem., 1995, 497, 55 and references cited therein,
15. (e) D. Fischer and R. Mülhaupt, J. Organomet. Chem., 1991, 417, C7.
16. 5 (a) W. Spaleck, M. Antberg, M. Aulbach, B. Bachmann, V. Dolle, S. Haftka, F. Küber, J. Rohrmann and A. Winter, in Ziegler Catalysts, ed. G. Fink, R. Mülhaupt and H. H. Brintzinger, Springer Verlag, Berlin, 1994, pp. 83-96;
17. (b) M. Aulbach and F. Küber, Chemie Unserer Zeit, 1994, 28, 197.
18. 2, Version 3.5, Molecular Simulations Inc., San Diego, 1997.
19. 7 L. A. Castonguay and A. K. Rappé, J. Am. Chem. Soc., 1992, 114, 5832.
20. 8 A. K. Rappé, K. S. Colwell and C. J. Casewit, Inorg. Chem., 1993, 32, 3438.
21. 9 A. K. Rappé and W. A. Goddard III, J. Phys. Chem., 1991, 95, 3358.
22. 10 W. Thiel and A. A. Voityuk, J. Phys. Chem., 1996, 100, 616.
23. 11 UniChem 4.1, Oxford Molecular Group, Beaverton, 1997.
24. 12 Y.-X. Chen, C. L. Stern, S. Yang and T. J. Marks, J. Am. Chem. Soc., 1996, 118, 12451.
25. 13 C. J. Harlan, S. G. Bott and A. R. Barron, J. Am. Chem. Soc., 1995, 117, 6465 and references cited therein.
26. 14 S. H. Vosko, L. Wilk and M. Nusair, Can. J. Phys., 1980, 58, 1200.
27. 15 A. D. Becke, Phys. Rev. A, 1988, 38, 3098.
28. 16 J. P. Perdew, Phys. Rev. B, 1986, 33, 8822.
29. 17 H. Chen, M. Krasowski and G. Fitzgerald, J. Chem. Phys., 1993, 98, 8710.
30. 18 T. P. Hamilton and P. Pulay, J. Chem. Phys., 1986, 84, 5728.
31. 19 W. Spaleck, F. Küber, A. Winter, J. Rohrmann, B. Bachmann, M. Antberg, V. Dolle and E. F. Paulus, Organometallics, 1994, 13, 954.
32. 20 (a) C. J. Harlan, S. G. Bott and A. R. Barron, J. Am. Chem. Soc., 1995, 117, 6465;
33. (b) H. Sinn, Macromol. Symp., 1995, 97, 27.
34. 21 H. Margenau and N. R. Kestner, Theory of intermolecular forces, Pergamon Press, Oxford, 1969.