ISSN:
1572-9028
Keywords:
constrained geometry catalysts
;
naked cation
;
cocatalyst
;
contact ion-pairs
;
solvent effect
;
olefin activation/insertion
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract Mechanistic aspects of constrained geometry catalyst generation, catalyst-cocatalyst structural energetics, and olefin activation/insertion have been studied at the MP2/HF level of theory including solvation effects for the prototypical catalytic species (C5H4SiH2NR)Ti(CH3)2 (R=CH3 and tBu) and strong Lewis acid [BF3, BCl3 and B(C6F5)3] cocatalysts. It is seen that counteranion and solvation effects are substantial and strongly affect the olefins polymerization processes.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1023/A:1019163717123
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