A Unified Model Explaining Heterogeneous Ziegler-Natta Catalysis

Raffaele Credendino; Dario Liguori; Zhiqiang Fan; Giampiero Morini; Luigi Cavallo

doi:10.1021/acscatal.5b01076

A Unified Model Explaining Heterogeneous Ziegler-Natta Catalysis

Raffaele Credendino, Dario Liguori, Zhiqiang Fan, Giampiero Morini, Luigi Cavallo

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103 Scopus citations

Abstract

We propose a model for MgCl2 supported Ziegler-Natta catalysts capable to reconcile the discrepancies emerged in the last 20 years, when experimental data were tried to be rationalized by molecular models. We show that step defects on the neglected but thermodynamically more stable (104) facet of MgCl2 can lead to sites for strong TiCl4 adsorption. The corresponding Ti-active site is stereoeselective, and its stereoselectivity can be enhanced by coordination of Al-alkyls or Lewis bases in the close proximity. The surface energy of the step defected (104) MgCl2 facet is clearly lower than that of the well accepted (110) facet.

Original language	English (US)
Pages (from-to)	5431-5435
Number of pages	5
Journal	ACS Catalysis
Volume	5
Issue number	9
DOIs	https://doi.org/10.1021/acscatal.5b01076
State	Published - Aug 17 2015

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KAUST Repository Item: Exported on 2020-10-01

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10.1021/acscatal.5b01076

https://repository.kaust.edu.sa/bitstream/10754/567036/1/acscatal2E5b01076.pdf

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title = "A Unified Model Explaining Heterogeneous Ziegler-Natta Catalysis",

abstract = "We propose a model for MgCl2 supported Ziegler-Natta catalysts capable to reconcile the discrepancies emerged in the last 20 years, when experimental data were tried to be rationalized by molecular models. We show that step defects on the neglected but thermodynamically more stable (104) facet of MgCl2 can lead to sites for strong TiCl4 adsorption. The corresponding Ti-active site is stereoeselective, and its stereoselectivity can be enhanced by coordination of Al-alkyls or Lewis bases in the close proximity. The surface energy of the step defected (104) MgCl2 facet is clearly lower than that of the well accepted (110) facet.",

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AU - Credendino, Raffaele

AU - Liguori, Dario

AU - Fan, Zhiqiang

AU - Morini, Giampiero

AU - Cavallo, Luigi

N1 - KAUST Repository Item: Exported on 2020-10-01

PY - 2015/8/17

Y1 - 2015/8/17

N2 - We propose a model for MgCl2 supported Ziegler-Natta catalysts capable to reconcile the discrepancies emerged in the last 20 years, when experimental data were tried to be rationalized by molecular models. We show that step defects on the neglected but thermodynamically more stable (104) facet of MgCl2 can lead to sites for strong TiCl4 adsorption. The corresponding Ti-active site is stereoeselective, and its stereoselectivity can be enhanced by coordination of Al-alkyls or Lewis bases in the close proximity. The surface energy of the step defected (104) MgCl2 facet is clearly lower than that of the well accepted (110) facet.

AB - We propose a model for MgCl2 supported Ziegler-Natta catalysts capable to reconcile the discrepancies emerged in the last 20 years, when experimental data were tried to be rationalized by molecular models. We show that step defects on the neglected but thermodynamically more stable (104) facet of MgCl2 can lead to sites for strong TiCl4 adsorption. The corresponding Ti-active site is stereoeselective, and its stereoselectivity can be enhanced by coordination of Al-alkyls or Lewis bases in the close proximity. The surface energy of the step defected (104) MgCl2 facet is clearly lower than that of the well accepted (110) facet.

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A Unified Model Explaining Heterogeneous Ziegler-Natta Catalysis

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