DENSITY-FUNCTIONAL STUDY OF THE INSERTION STEP IN OLEFIN POLYMERIZATION BY METALLOCENE AND CONSTRAINED-GEOMETRY CATALYSTS

Authors
WOO TK FAN L ZIEGLER T
Citation
Tk. Woo et al., DENSITY-FUNCTIONAL STUDY OF THE INSERTION STEP IN OLEFIN POLYMERIZATION BY METALLOCENE AND CONSTRAINED-GEOMETRY CATALYSTS, Organometallics, 13(2), 1994, pp. 432-433
Citations number
21
Categorie Soggetti
Chemistry Inorganic & Nuclear","Chemistry Inorganic & Nuclear
Journal title
Organometallics → ACNP
ISSN journal
02767333
Volume
13
Issue
2
Year of publication
1994
Pages
432 - 433
Database
ISI
SICI code
0276-7333(1994)13:2<432:DSOTIS>2.0.ZU;2-N
Abstract
Nonlocal density functional (DF) calculations have been carried out on the insertion of ethylene into the metal-CH3 bond of the Kaminsky typ e metallocenes (KTM) Cp2ZrCH3+ (2), (SiH2CP2)ZrCH3+ (3), Cp2ScCH3+ (4) , and (SiH2(Cp)NH)ZrCH3+ (5).