Title : ( Synthesis and Application Of Fluorinated a- Diimine Nickel Catalyst For Ethylene Polymerization: Deactivation Mechanism )
Authors: S. ahmadjo , سامان دماوندی , Gholamhossein Zohuri , ابالقاسم فرهادی پور , نرجس صمدیه , زهرا اعتمادی نیا ,
Full TextAbstract
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 mechanism
@article{paperid:1063659,
author = {S. Ahmadjo and سامان دماوندی and Zohuri, Gholamhossein and ابالقاسم فرهادی پور and نرجس صمدیه and زهرا اعتمادی نیا},
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},
}
%0 Journal Article
%T Synthesis and Application Of Fluorinated a- Diimine Nickel Catalyst For Ethylene Polymerization: Deactivation Mechanism
%A S. Ahmadjo
%A سامان دماوندی
%A Zohuri, Gholamhossein
%A ابالقاسم فرهادی پور
%A نرجس صمدیه
%A زهرا اعتمادی نیا
%J Polymer bulletin
%@ 0170-0839
%D 2017
