Structural analysis of imino- and amino-pyridine ligands for Ni(II):Precatalysts for the polymerization of ethylene

Lovett, Danielle M.; Thierer, Laura M.; Santos, Earl E. P.; Hardie, R. L.; Dougherty, William G.; Piro, Nicholas A.; Kassel, W. Scott; Cromer, Brian M.; Coughlin, E. Bryan; Zubris, Deanna L.

doi:10.1016/j.jorganchem.2018.03.012

Cited by 13 publications

(2 citation statements)

References 48 publications

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“…5) and examined the effect of these variations in the polymerization of ethylene. 26 All the catalysts were active at 0 °C, but were inferior in terms of polymerization activities compared to catalyst 6 , yielding waxy solid PE with activities in the range of 1.6 × 10 4 –5.7 × 10 4 g (mol, h, atm) −1 . The catalyst with an Me group at the imine carbon gave the lowest activity, while its t Bu counterpart was the most active catalyst.…”

Section: Iminopyridine Mononuclear Ni/pd Catalystsmentioning

confidence: 94%

Structural evolution of iminopyridine support for nickel/palladium catalysts in ethylene (oligo)polymerization

Mahmood¹,

Li²,

Qin³

et al. 2022

Dalton Trans.

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Section: Iminopyridine Mononuclear Ni/pd Catalystsmentioning

confidence: 94%

Structural evolution of iminopyridine support for nickel/palladium catalysts in ethylene (oligo)polymerization

Mahmood¹,

Li²,

Qin³

et al. 2022

Dalton Trans.

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“…[ 6–8 ] They are ideal donors for metal ions, and can form stable complexes with a variety of metals due to their eclectic coordination modes. [ 9,10 ] The applications of these metal complexes in the fields of catalysis, [ 11,12 ] magnetism, [ 13,14 ] photoluminescence properties, [ 15 ] and biological activity [ 16 ] have become the object of interest to many researchers. However, the antimicrobial activity and theoretical study of manganese and bismuth complexes rooted in quinazoline‐type ligand containing pyridine rings are little‐reported.…”

Section: Introductionmentioning

confidence: 99%

Antimicrobial activities of two 1‐D, 2‐D, and 3‐D mononuclear Mn (II) and dinuclear Bi (III) complexes: X‐ray structures, spectroscopic, electrostatic potential, Hirshfeld surface analysis, and time‐dependent/density functional theory studies

Chai

Zhang

et al. 2022

Applied Organom Chemis

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Two mononuclear and dinuclear octahedral complexes, [Mn(L1)2Cl2] (1) and [Bi2(L2)2Cl8] (2) (L1 = 2‐(2‐pyridyl)‐4‐methyl‐1,2‐dihydroquinazoline‐N3‐oxide, L2 = 2‐(3‐pyridyl)‐4‐methyl‐1,2‐dihydroquinazoline‐N3‐oxide) were prepared by natural volatilization method. The ligands and both complexes were compared with spectroscopic methods, as well as characterized by elemental analysis. The photoluminescence behaviors of both complexes in different solvents were also investigated. The coordination possibility of ligands toward Mn (II)/Bi (III) was verified using X‐ray crystallography, and it revealed that the ratio of ligand to metal was 2:1 in 1, whereas 1:1 in 2. The adjacent molecules of six‐coordinated complex 1 constituted an infinite 1‐D chain, 2‐D network, and ladder‐like 3‐D supramolecular frameworks. Most strikingly, hexa‐coordinated complex 2 with dinuclear structure formed an infinite 1‐D chain, 2‐D layered and meter‐shaped 3‐D supramolecular skeleton. Density functional theory (DFT) calculation was used to optimize the geometry of complexes, compute the electrostatic potential diagrams, and evaluate the HOMO‐LUMO energy gap. The electronic transition simulated through time‐dependent (TD)‐DFT level of calculation rationalized the experimental data. The antibacterial properties of all compounds were evaluated against Gram‐positive and Gram‐negative bacterial strains. In addition, the Hirshfeld surface was utilized to quantify some hydrogen bonding interactions and their contributions.

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Homoleptic and Heteroleptic Substituted Amidomethylpyridine Iron Complexes: Synthesis, Structure and Polymerization of rac‐Lactide

et al. 2022

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The synthesis of iron complexes bearing amidomethylpyridine ligands, one homoleptic [2‐[(2,6‐iPr2‐C6H3)NC(Me)]C5H4N]2Fe (1) complex and two heteroleptic silylamide iron complexes [2‐[(2,6‐iPr2‐C6H3)NC(Me)]‐6‐R‐C5H4N]Fe(N(SiMe3)2)C5H5N (R=H, 2Py and R=Me, 3Py), are described together with their application as catalysts for the Ring‐Opening Polymerization (ROP) of rac‐lactide (rac‐LA). The determination of the crystal structure of the three iron complexes is reported as well as their behavior in solution by means of 1H NMR studies. All of these complexes have shown to be active for the polymerization of rac‐LA at 50 °C in toluene, producing, among others, high molecular weight polylactides (PLA) according to SEC analysis, along with a portion of low molecular weight cyclic polymer (cPLA) on the basis of MALDI spectra.

show abstract

Structural analysis of imino- and amino-pyridine ligands for Ni(II):Precatalysts for the polymerization of ethylene

Cited by 13 publications

References 48 publications

Structural evolution of iminopyridine support for nickel/palladium catalysts in ethylene (oligo)polymerization

Structural evolution of iminopyridine support for nickel/palladium catalysts in ethylene (oligo)polymerization

Antimicrobial activities of two 1‐D, 2‐D, and 3‐D mononuclear Mn (II) and dinuclear Bi (III) complexes: X‐ray structures, spectroscopic, electrostatic potential, Hirshfeld surface analysis, and time‐dependent/density functional theory studies

Homoleptic and Heteroleptic Substituted Amidomethylpyridine Iron Complexes: Synthesis, Structure and Polymerization of rac‐Lactide

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