Developments in compartmentalized bimetallic transition metal ethylene polymerization catalysts

Suo, Hongyi; Solan, Gregory A.; Ma, Yanping; Sun, Wen‐Hua

doi:10.1016/j.ccr.2018.06.006

Cited by 102 publications

(50 citation statements)

References 105 publications

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“…Numerous experimental investigations were reported aiming at improving catalytic performance toward ethylene polymerization. Indisputably, many achievements have been obtained through the modification of the framework of ligand and the variation of the substituents on the N‐aryl group …”

Section: Methodsmentioning

confidence: 99%

Prediction of catalytic activities of bis(imino)pyridine metal complexes by machine learning

2020

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This work demonstrates the potential of machine learning (ML) method to predict catalytic activity of transition metal complex precatalyst toward ethylene polymerization. For this purpose, 294 complexes and 15 molecular descriptors were selected to build the artificial neural network (ANN) model. The catalytic activity can be well predicted by the obtained ANN model, which was further validated by external complexes. Boruta algorithm was employed to explicitly decipher the importance of descriptors, illustrating the conjugated bond structure, and bulky substitutions are favorable for catalytic activity. The present work indicates that ML could give useful guidance for the new design of homogenous polyolefin catalyst.

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Section: Methodsmentioning

confidence: 99%

Prediction of catalytic activities of bis(imino)pyridine metal complexes by machine learning

2020

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“…Complexes of hafnium have been predominantly used as Lewis acid catalysts in various organic transformations, such as the polymerization of cyclic esters, and as catalysts for the homo‐ and copolymerization of α‐olefins . Recently, Hf‐MOF compounds have been used as active catalysts for the activation of small molecules .…”

Section: Introductionmentioning

confidence: 99%

Hydroboration of Aldehydes, Ketones, and Carbodiimides Promoted by Mono(imidazolin‐2‐iminato) Hafnium Complexes

et al. 2020

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Imidazolin‐2‐iminato hafnium complexes of the type [(ImRN)Hf(CH2Ph)3] were synthesized (ImtBuN = 1,3‐di‐tert‐butylimidazolin‐2‐iminato); ImDippN = 1,3‐bis(2,6‐diisopropylphenyl)‐imidazolin‐2‐iminato. The complexes were crystallized and structurally characterized. Despite the oxophilicity of the hafnium center, both hafnium complexes were catalytically active in the hydroboration of aldehydes, ketones, and carbodiimides. Herein, we present the influence of different substrates bearing electron‐withdrawing or electron‐donating groups on the catalytic reactions. Based on stoichiometric reaction in each process, plausible mechanistic scenarios are presented.

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“…Late‐transition metal complexes are one of the most extensively studied systems in the field of olefin polymerization and oligomerization because of their low oxophilicity . Ni‐ and Pd‐based complexes exhibited high catalytic activity in oligo‐/polymerization, and produced ethylene oligomers or low molecular weight branched polyethylenes .…”

Section: Introductionmentioning

confidence: 99%

Bulky iminophosphine‐based nickel and palladium catalysts bearing 2,6‐dibenzhydryl groups for ethylene oligo‐/polymerization

Wang

et al. 2020

Applied Organom Chemis

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A series of 2,6‐dibenzhydryl substituted bulky Ni and Pd complexes containing P,N‐chelating ligands, {[2,6‐(Ph2CH)2‐4‐R‐C6H2‐N=CH‐C6H4‐2‐PPh2]MX2; MX2 =NiBr2; R = Me (Ni1); R = F (Ni2); MX2 =PdCl2, R = Me (Pd1)}, have been prepared and used as catalyst precursors for ethylene oligo‐/polymerization. Compared to the corresponding 2,6‐diisopropyl Ni catalyst, these bulky Ni precatalysts activated by Et2AlCl exhibited excellent catalytic performance toward ethylene polymerization with activity of up to 1.90 × 105 g PE (mol Ni)−1 h−1, and result in semicrystalline PEs with high molecular weight. The catalytic performance of these bulky P,N‐type complexes was significantly improved by introducing two ortho‐dibenzhydryl on the N‐aryl substituents. However, the formation of C10–C24 oligomers were generated using their palladium catalysts through ethylene oligomerization at high temperatures.

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Developments in compartmentalized bimetallic transition metal ethylene polymerization catalysts

Cited by 102 publications

References 105 publications

Prediction of catalytic activities of bis(imino)pyridine metal complexes by machine learning

Prediction of catalytic activities of bis(imino)pyridine metal complexes by machine learning

Hydroboration of Aldehydes, Ketones, and Carbodiimides Promoted by Mono(imidazolin‐2‐iminato) Hafnium Complexes

Bulky iminophosphine‐based nickel and palladium catalysts bearing 2,6‐dibenzhydryl groups for ethylene oligo‐/polymerization

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