A Possible Model for the Stereospecificity in the Syndiospecific Polymerization of Propene with Group 4A Metallocenes

Luigi Cavallo; Gaetano Guerra; Michele Vacatello; Paolo Corradini

doi:10.1021/ma00008a015

A Possible Model for the Stereospecificity in the Syndiospecific Polymerization of Propene with Group 4A Metallocenes

Luigi Cavallo, Gaetano Guerra^*, Michele Vacatello, Paolo Corradini

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

144 Scopus citations

Abstract

The techniques of conformational analysis to investigate the factors that determine the stereospecificity, previously applied to stereorigid model sites for the homogeneous isospecific Ziegler-Natta catalysis, are now extended to other stereorigid cationic model sites. For a model site including an isopropyl-(cyclopentadienyl-1-fluorenyl) ligand, a precise definition of the interactions that determine its enantiose-lectivity at the molecular level is presented. For other model sites including an isopropyl(cyclopentadienyl-1-indenyl) or an isopropyl(l-fluorenyl-3-methylcyclopentadienyl) ligand, on the basis of energy calculations, predictions of their stereospecific behavior are presented, which are in a qualitative agreement with the available experimental information.

Original language	English (US)
Pages (from-to)	1784-1790
Number of pages	7
Journal	Macromolecules
Volume	24
Issue number	8
DOIs	https://doi.org/10.1021/ma00008a015
State	Published - Apr 1 1991
Externally published	Yes

ASJC Scopus subject areas

Organic Chemistry
Polymers and Plastics
Inorganic Chemistry
Materials Chemistry

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title = "A Possible Model for the Stereospecificity in the Syndiospecific Polymerization of Propene with Group 4A Metallocenes",

abstract = "The techniques of conformational analysis to investigate the factors that determine the stereospecificity, previously applied to stereorigid model sites for the homogeneous isospecific Ziegler-Natta catalysis, are now extended to other stereorigid cationic model sites. For a model site including an isopropyl-(cyclopentadienyl-1-fluorenyl) ligand, a precise definition of the interactions that determine its enantiose-lectivity at the molecular level is presented. For other model sites including an isopropyl(cyclopentadienyl-1-indenyl) or an isopropyl(l-fluorenyl-3-methylcyclopentadienyl) ligand, on the basis of energy calculations, predictions of their stereospecific behavior are presented, which are in a qualitative agreement with the available experimental information.",

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T1 - A Possible Model for the Stereospecificity in the Syndiospecific Polymerization of Propene with Group 4A Metallocenes

AU - Cavallo, Luigi

AU - Guerra, Gaetano

AU - Vacatello, Michele

AU - Corradini, Paolo

PY - 1991/4/1

Y1 - 1991/4/1

N2 - The techniques of conformational analysis to investigate the factors that determine the stereospecificity, previously applied to stereorigid model sites for the homogeneous isospecific Ziegler-Natta catalysis, are now extended to other stereorigid cationic model sites. For a model site including an isopropyl-(cyclopentadienyl-1-fluorenyl) ligand, a precise definition of the interactions that determine its enantiose-lectivity at the molecular level is presented. For other model sites including an isopropyl(cyclopentadienyl-1-indenyl) or an isopropyl(l-fluorenyl-3-methylcyclopentadienyl) ligand, on the basis of energy calculations, predictions of their stereospecific behavior are presented, which are in a qualitative agreement with the available experimental information.

AB - The techniques of conformational analysis to investigate the factors that determine the stereospecificity, previously applied to stereorigid model sites for the homogeneous isospecific Ziegler-Natta catalysis, are now extended to other stereorigid cationic model sites. For a model site including an isopropyl-(cyclopentadienyl-1-fluorenyl) ligand, a precise definition of the interactions that determine its enantiose-lectivity at the molecular level is presented. For other model sites including an isopropyl(cyclopentadienyl-1-indenyl) or an isopropyl(l-fluorenyl-3-methylcyclopentadienyl) ligand, on the basis of energy calculations, predictions of their stereospecific behavior are presented, which are in a qualitative agreement with the available experimental information.

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A Possible Model for the Stereospecificity in the Syndiospecific Polymerization of Propene with Group 4A Metallocenes

Abstract

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