A Density Functional Study on Activation and Ion-Pair Formation in Group IV Metallocene and Related Olefin Polymerization Catalysts

5/28/99

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A Density Functional Study on Activation and Ion-Pair Formation in Group IV Metallocene and Related Olefin Polymerization Catalysts

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Major Sections

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Activation by a Co-catalyst

Activation by a Co-catalyst

Activation by a Co-catalyst

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Introduction

Reactions of the Contact Ion-Pair

Reactions of the Contact Ion-Pair

Reactions of the Contact Ion-Pair

Reactions of the Contact Ion-Pair

Reactions of the Contact Ion-Pair

Reactions of the Contact Ion-Pair

Reactions of the Contact Ion-Pair

Reactions of the Contact Ion-Pair

Electronic factors play a predominant role in determining the enthalpy change of methide abstraction to form a contact ion-pair.

Work in Progress

Future Work

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Author: Ziegler Research Group 

Email: ziegler@ucalgary.ca

Home Page: http://www.cobalt.chem.ucalgary.ca/group/master.html