Rotating benzyl substituent in ansa -bis(indenyl)zirconocenes controls propene polymerization

Organometallics

Volumn 29, Issue 18, 2010, Pages 4018-4024

  Puranen, Arto ^a   Linnolahti, Mikko ^b   Piel, Tanja ^c   Elo, Pertti ^a   Mutikainen, Ilpo ^a   Pakkanen, Tapani ^b   Löfgren, Barbro ^c   Aitola, Erkki ^a   Seppälä, Jukka ^c   Leskelä, Markku ^a   Repo, Timo ^a  

^a UNIVERSITY OF HELSINKI   (Finland)

^b UNIVERSITY OF EASTERN FINLAND   (Finland)

^c AALTO UNIVERSITY   (Finland)

Author keywords

[No Author keywords available]

Indexed keywords

BENZYL GROUP; DIASTEREOMERS; ENERGY MINIMA; INDENYL; LOCAL ENERGY MINIMA; METALLOCENES; METHYLALUMINOXANE; POLYMERIZATION BEHAVIOR; POLYMERIZATION CONDITIONS; PROPENE POLYMERIZATION; QUANTUM CHEMICAL CALCULATIONS; TACTICITIES; ZIRCONOCENES;

CATALYSTS; ORGANOMETALLICS; POLYMERIZATION; PROPYLENE; QUANTUM CHEMISTRY;

POLYMERS;

EID: 77956913713     PISSN: 02767333     EISSN: 15206041     Source Type: Journal    
DOI: 10.1021/om9009262     Document Type: Article

References (40)

1. Reichert, K. H.; ja Meyer, K. R. Macromol. Chem. 1973, 169, 163
2. Kaminsky, W.; Kopf, J.; Sinn, H.; ja Vollmer, H.-J. Angew. Chem. 1976, 88, 688
3. Resconi, L.; Cavallo, L.; Fait, A.; Piemontesi, F. Chem. Rev. 2000, 100, 1253-1345
4. Cobzaru, C.; Hild, S.; Boger, A.; Troll, C.; Rieger, B. Coord. Chem. Rev. 2006, 250, 189-211
5. Resconi, L.; Camurati, I.; Sudmeijer, O. Top. Catal. 1999, 7, 145-163
6. Busico, V.; Cipullo, R. Prog. Polym. Sci. 2001, 26, 443
7. See ref 3.
8. Coates, G, W. J. Chem. Soc., Dalton Trans. 2002, 467
9. Coates, G. W. Chem. Rev. 2000, 100, 1223
10. Brintzinger, H. H.; Fischer, D.; Mülhaupt, R.; Rieger, B.; ja Waymouth, R. M. Angew. Chem., Int. Ed. Engl. 1995, 34, 1143
11. Bravakis, A. M.; Bailey, L. E.; Pigeon, M.; Collins, S. Macromolecules 1998, 31, 1000-1009
12. Gauthier, W. J.; Corrigan, J. F.; Taylor, N. J.; Collins, S. Macromolecules 1995, 28, 3771
13. van der Leek, Y.; Angermund, K.; Reffke, M.; Kleinschmidt, R.; Goretzki, R.; Fink, G. Chem.-Eur. J. 1997, 3, 585
14. Gauthier, W. J.; Collins, S. Macromolecules 1995, 28, 3779
15. Dietrich, U.; Hackmann, M.; Rieger, B.; Klinga, M.; Leskelä, M. J. Am. Chem. Soc. 1999, 121, 4348
16. Kukral, J.; Lehmus, P.; Feifel, T.; Troll, K.; Rieger, B. Organometallics 2000, 19, 3767
17. Puranen, A. J.; Klinga, M.; Leskelä, M.; Repo, T. Organometallics 2004, 23, 3759-3762
18. Obtained from Prof. Riegers group. Röll, W.; Karl, E.; Brintzinger, H. H.; Stehling, U.; Rieger, B. EP 0519237, priority 18.06.1991.
19. Alt, H. G.; Reb, A.; Kundu, K. J. Organomet. Chem. 2001, 628, 211
20. Kottke, T.; Stalke, D. J. Appl. Crystallogr. 1993, 26, 615
21. Nonius COLLECT; Nonius BV: Delft, The Netherlands, 2002.
22. Sheldrick, G. M. SHELX97, Program for the Solution and Refinement of Crystal Structures; University of Göttingen: Germany, 1997.
23. Sheldrick, G. M. SHELXTL Version 5.10; Bruker AXS Inc.: Madison, WI, 1997.
24. Huzinaga, S. Gaussian Basis Sets for Molecular Calculations, Elsevier: Amsterdam, 1984.
25. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, Revision C.02; Gaussian, Inc.: Wallingford, CT, 2004.
26. Stehling, U.; Diebold, J.; Kirsten, R.; Röll, W.; Brintzinger, H. H.; Jüngling, S.; Mülhaupt, R.; Langhauser, F. Organometallics 1994, 13, 964
27. Spaleck, W.; Antberg, M.; Aulbach, M.; Bachmann, B.; Dolle, V.; Haftka, S.; Küber, F.; Rohrmann, J.; Winter, A. In Ziegler Catalysts; Fink, G.; Mülhaupt, R.; Brintzinger, H.-H., Eds.; Springer-Verlag: Berlin, 1995; p 83.
28. See ref 4.
29. Busico, V.; Cipullo, R. Prog. Polym. Sci. 2001, 26, 443
30. See ref 3.
31. Coates, G, W. J. Chem. Soc., Dalton Trans. 2002, 467
32. Coates, G. W. Chem. Rev. 2000, 100, 1223
33. Brintzinger, H.-H.; Fischer, D.; Mülhaupt, R.; Rieger, B.; Waymouth, R. Angew. Chem., Int. Ed. Engl. 1995, 34, 1143
34. Resconi, L.; Fait, A.; Piemontesi, F.; Colonnesi, M.; Rychlicki, H.; Ziegler, R. Macromolecules 1995, 28, 6667-6676
35. Rieger, B.; Jany, G.; Fwazi, R.; Steimann, M. Organometallics 1994, 13, 647-653
36. Resconi, L.; Jones, R. L.; Rheingold, A. L.; Yap, G. P. A. Organometallics 1996, 15, 998
37. Bühl, M.; Sassmannshausen, J. J. Chem., Dalton Trans. 2001, 79-84
38. Bochmann, M.; Green, M. L. H.; Powell, A. K.; Sassmannshausen, J.; Triller, M. U.; Wocadlo, S. J. Chem., Dalton Trans. 1999, 43-49
39. Doerrer, L. H.; Green, M. L. H.; Häussinger, D.; Sassmannshausen, J. J. Chem. Soc., Dalton Trans. 1999, 2111-2118
40. Aitola, E.; Surakka, M.; Repo, T.; Linnolahti, M.; Lappalainen, K.; Kervinen, K.; Klinga, M.; Pakkanen, T.; Leskelä, M. J. Organomet. Chem. 2005, 690, 773-783