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Spectrophotometric study of zirconocene/polymethylalumoxane catalytic systems: principal component analysis and parametric modeling

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Abstract

Transformation of electronic absorption spectra of zirconocene catalytic systems Ph2CCpFluZrCl2-polymethylalumoxane (MAO) and rac-Me2Si(2-Me,4-PhInd)2ZrCl2-MAO (Flu is fluorenyl, Ind is indenyl) in toluene was studied upon a change in the ratio of reactants AlMAO/Zr from 0 to 3000 mol mol−1. Analysis of the spectroscopic data using statistical methods determined the number of reaction products in each system. A reaction model including three equilibria and being common for the both systems was proposed. Effective equilibrium constants and absorption spectra of individual reaction products were determined by parametric self-modeling of the experimental spectra.

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Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 10, pp. 2257–2264, October, 2005.

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Ryabenko, A.G., Faingol’d, E.E., Ushakov, E.N. et al. Spectrophotometric study of zirconocene/polymethylalumoxane catalytic systems: principal component analysis and parametric modeling. Russ Chem Bull 54, 2330–2337 (2005). https://doi.org/10.1007/s11172-006-0118-1

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  • DOI: https://doi.org/10.1007/s11172-006-0118-1

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