Journal of Organometallic Chemistry, ( ISI ), Volume (835), No (1), Year (2017-2) , Pages (43-51)

Title : ( Mechanisms for the effects of fluorine and a-diimine backbone structure on the catalyst behavior and catalyst deactivation in ethylene polymerization by Ni catalysts )

Authors: S. Ahmadjo , , Gholamhossein Zohuri , Abolghasem Farhadipour , Zahra Etemadinia ,

Citation: BibTeX | EndNote

Ethylene polymerizations were carried out via three fluorinated late transition metal (LTM) catalysts activated by methylaluminoxane (MAO) as a co catalyst. The effects of polymerization conditions, the fluorine of ligand and the a-diimine backbone structure on the catalysts performance and polymer properties were studied. Modification of the a-diimine ligand had a notable effect on the catalysts behavior. The catalyst [bis(N,N/-2-fluorophenylimino)acenaphthene] nickel (ІІ) dibromide (catalyst 1) showed the highest activity compared to other catalysts used in this study. Moreover, the catalyst 1 produced a polymer with the highest molecular weight, while the catalyst [bis(N,N -2fluorophenylimino)ethan] nickel (II) dibromide (catalyst 2) produced a polymer with the lowest molecular weight. A mechanism was proposed for the effects of fluorine and a-diimine backbone structure on the catalysts behavior, catalyst deactivation and molecular weight of the polymers obtained. Our mechanistic hypothesis was strongly verified by computational approaches, we used to describe the system. The probable reactive electronic interactions of fluorine substitution were accurately distinguished to explain the influence of the ligand backbone on the molecular weight of the obtained polymer.

Keywords

, Late transition metal, Fluorinated nickel catalyst, Ethylene polymerization, Density functional theory
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@article{paperid:1062829,
author = {S. Ahmadjo and , and Zohuri, Gholamhossein and Farhadipour, Abolghasem and Etemadinia, Zahra},
title = {Mechanisms for the effects of fluorine and a-diimine backbone structure on the catalyst behavior and catalyst deactivation in ethylene polymerization by Ni catalysts},
journal = {Journal of Organometallic Chemistry},
year = {2017},
volume = {835},
number = {1},
month = {February},
issn = {0022-328x},
pages = {43--51},
numpages = {8},
keywords = {Late transition metal; Fluorinated nickel catalyst; Ethylene polymerization; Density functional theory (DFT)},
}

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%0 Journal Article
%T Mechanisms for the effects of fluorine and a-diimine backbone structure on the catalyst behavior and catalyst deactivation in ethylene polymerization by Ni catalysts
%A S. Ahmadjo
%A ,
%A Zohuri, Gholamhossein
%A Farhadipour, Abolghasem
%A Etemadinia, Zahra
%J Journal of Organometallic Chemistry
%@ 0022-328x
%D 2017

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