Study on the activity of constrained geometry metallocenes

Carlos Alemán; Mark M. Green

doi:10.1002/1521-3919(20010201)10:2<75::AID-MATS75>3.0.CO;2-7

Study on the activity of constrained geometry metallocenes

Carlos Alemán, Mark M. Green

Chemical and Biomolecular Engineering

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

Abstract

The activities of a several titanium-based constrained geometry metallocenes (CGM) have been examined with respect to their central-metal net charges. A simple method consisting of a combination of the molecular mechanics and the charge equilibration method was adopted here to determine the structure and the net charge. The results obtained indicate that the net charge on the central-metal of the CGM does dominate the activity. A new CGM, (2,6-dipropylphenylamide) dimethyl (tetramethylcyclopentadienyl) silane titanium dichloride, was synthesized and analyzed.

Original language	English (US)
Pages (from-to)	75-78
Number of pages	4
Journal	Macromolecular Theory and Simulations
Volume	10
Issue number	2
DOIs	https://doi.org/10.1002/1521-3919(20010201)10:2<75::AID-MATS75>3.0.CO;2-7
State	Published - 2001

ASJC Scopus subject areas

Condensed Matter Physics
Organic Chemistry
Polymers and Plastics
Inorganic Chemistry
Materials Chemistry

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10.1002/1521-3919(20010201)10:2<75::AID-MATS75>3.0.CO;2-7

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AB - The activities of a several titanium-based constrained geometry metallocenes (CGM) have been examined with respect to their central-metal net charges. A simple method consisting of a combination of the molecular mechanics and the charge equilibration method was adopted here to determine the structure and the net charge. The results obtained indicate that the net charge on the central-metal of the CGM does dominate the activity. A new CGM, (2,6-dipropylphenylamide) dimethyl (tetramethylcyclopentadienyl) silane titanium dichloride, was synthesized and analyzed.

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Study on the activity of constrained geometry metallocenes

Abstract

ASJC Scopus subject areas

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