"Dormant" secondary metal-alkyl complexes are not omnipresent

Proceedings of the National Academy of Sciences of the United States of America

Volumn 103, Issue 42, 2006, Pages 15338-15342

  Flisak, Zygmunt ^a,b   Ziegler, Tom ^a  

^a UNIVERSITY OF CALGARY   (Canada)

^b UNIVERSITY OF OPOLE   (Poland)

Author keywords

Catalyst; Density functional theory; Olefin polymerization; Propylene; Transition metals

Indexed keywords

ALKYL GROUP; CARBON; LIGAND; METAL COMPLEX; PROPYLENE;

ARTICLE; ATOM; CALCULATION; CATALYSIS; CATALYST; CHEMICAL STRUCTURE; COMPLEX FORMATION; COUNTERANION EFFECT; DENSITY FUNCTIONAL THEORY; MOLECULAR INTERACTION; MOLECULAR MECHANICS; MOLECULAR MODEL; POLYMERIZATION; PRIORITY JOURNAL; REGIOERROR; SOLVENT EFFECT; STEREOSPECIFICITY; THEORETICAL STUDY; ZIEGLER NATTA POLYMERIZATION;

EID: 33750324828     PISSN: 00278424     EISSN: None     Source Type: Journal    
DOI: 10.1073/pnas.0602091103     Document Type: Article

References (27)

1. Busico V, Cipullo R, Polzone C, Talarico G (2003) Macromolecules 36:2616-2622.
2. Busico V, Cipullo R, Ronca S (2002) Macromolecules 35:1537-1542.
3. Busico V, Chadwick JC, Cipullo R, Ronca S, Talarico G (2004) Macromolecules 37:7437-7443.
4. Landis CR, Sillars DR, Batterton JM (2004) J Am Chem Soc 126:8890-8891.
5. Busico V, Cipullo R, Romanelli V, Ronca S, Togrou M (2005) J Am Chem Soc 127:1608-1609.
6. Tshuva EY, Goldberg I, Kol M (2000) J Am Chem Soc 122:10706-10707.
7. Kawamura-Kuirbayashi H, Koga N, Morokuma K (1992) J Am Chem Soc 114:2359.
8. Corradini P, Busico V, Cavallo L, Guerra G, Vacatello M, Veneditto V (1992) J Mol Catal 74:433-442.
9. Chan MSW, Vanka K, Pye CC, Ziegler T (1999) Organometallics 18:4624-4636.
10. Vanka K, Xu Z, Ziegler T (2005) Organometallics 24:419-430.
11. Flisak Z, Ziegler T (2005) Macromolecules 38:9865-9872.
12. Vanka K, Xu Z, Ziegler T (2004) Organometallics 23:2900-2910.
13. Song F, Lancaster SJ, Cannon RD, Schormann M, Humphrey SM, Zuccaccia C, Macchioni A, Bochmann M (2005) Organometallics 24:1315-1328.
14. Ducéré J-M, Cavallo L (2006) Organometallics 25:1431-1433.
15. Chen EY-X, Marks TJ (2000) Chem Rev 100:1391-1434.
16. Landis CR, Rosaanen KA, Uddin J (2002) J Am Chem Soc 124:12062-12063.
17. Te Velde G, Bickelhaupt FM, Baerends EJ, Fonseca Guerra C, Van Gisbergen SJA, Snijders JG, Ziegler T (2001) J Comput Chem 22:931-967.
18. Baerends EJ, Ellis DE, Ros P (1973) Chem Phys 2:41.
19. Versluis L, Ziegler T (1988) J Chem Phys 88:322.
20. Te Velde G, Baerends EJ (1991) Phys Rev B 44:7888.
21. Fonseca Guerra C, Snijders JG, Te Velde G, Baerends EJ (1998) Theor Chim Acta 99:391.
22. Xu Z, Vanka K, Firman T, Michalak A, Zurek E, Zhu C, Ziegler T (2002) Organometallics 21:2444-2453.
23. Becke AD (1988) Phys Rev A 38:3098-3100.
24. Perdew JP (1986) Phys Rev B 33:8822-8824.
25. Vosko SH, Wilk L, Nusair M (1980) Can J Phys 58:1200.
26. Krijn J, Baerends EJ (1984) Fit Functions in the HFS Method (Free University, Amsterdam).
27. Klamt A, Schuurmann G (1993) J Chem Soc Perkin Trans 2:799-805.