Polymer bulletin, ( ISI ), Volume (74), No (9), Year (2017-9) , Pages (3819-3832)

Title : ( Synthesis and application of fluorinated a-diimine nickel catalyst for ethylene polymerization: deactivation mechanism )

Authors: S. ahmadjo , , Gholamhossein Zohuri , ابالقاسم فرهادی پور , narjes samadieh , Zahra Etemadinia ,

Citation: BibTeX | EndNote

Abstract A fluorinated LTM catalyst of [bis(N,N -2-fluorophenylimino)acenaphthene] nickel(II) dibromide was prepared and applied for ethylene polymerization. We established a reasonable hypothesis, highlighting the role of fluorine in ligand structure. In addition, density functional theory (DFT) studies have been applied to strengthen our propositions. DFT calculations of the b-agostic cationic species at room temperature and 75 _C suggest that the b-agostic structure for the latter was destabilized by 19 eV which rendered it less prone to b-H transfer reactions than the species at room temperature. In addition, a mechanism for the catalyst deactivation for fluorinated a-diimine nickel based catalysts has been proposed.

Keywords

, Late transition metal. a, Diimine . Nickel catalyst . DFT . Deactivation
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@article{paperid:1063659,
author = {S. Ahmadjo and , and Zohuri, Gholamhossein and ابالقاسم فرهادی پور and Samadieh, Narjes and Etemadinia, Zahra},
title = {Synthesis and application of fluorinated a-diimine nickel catalyst for ethylene polymerization: deactivation mechanism},
journal = {Polymer bulletin},
year = {2017},
volume = {74},
number = {9},
month = {September},
issn = {0170-0839},
pages = {3819--3832},
numpages = {13},
keywords = {Late transition metal. a-Diimine . Nickel catalyst . DFT . Deactivation mechanism},
}

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%0 Journal Article
%T Synthesis and application of fluorinated a-diimine nickel catalyst for ethylene polymerization: deactivation mechanism
%A S. Ahmadjo
%A ,
%A Zohuri, Gholamhossein
%A ابالقاسم فرهادی پور
%A Samadieh, Narjes
%A Etemadinia, Zahra
%J Polymer bulletin
%@ 0170-0839
%D 2017

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