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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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Guo et al. (2001) studied this question.
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