Synthesis, characterization, and ethylene polymerization behavior of Cr(III) catalysts based on bis(pyrazolylmethyl)pyridine and its derivatives

Woo, Jeong Oh; Kang, Sung Kwon; Park, Jong-Eun; Son, Kyung‐sun

doi:10.1016/j.molcata.2015.04.007

Cited by 7 publications

(3 citation statements)

References 41 publications

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“…As is depicted in Figure , in PIPy‐4MwCo and PIPy‐4MwFe the geometry around the cobalt and iron is probably penta‐coordinated to the three nitrogen atoms of the bis ‐iminopyridine unit and to two chlorine ligands, as it was reported for similar structures ,, . PIPy‐4MwCr is six‐coordinated with octahedral geometry with the metal center chelated by a tridentate ligand, one equatorial chloride and two chlorides occupying the apical positions …”

Section: Resultsmentioning

confidence: 99%

Efficient and Reusable Metal Heterogeneous Catalysts for Conversion of CO₂Prepared from a Microwave Synthetized Porous Polyiminopyridine

Maya

González-Lucas

2017

ChemistrySelect

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A stable nitrogen‐rich porous polyimine containing pyridine units (PIPy‐4Mw) was successfully synthesized under microwave heating via a simple “one‐step” polycondensation in only 30 min without adding any catalyst. This versatile polymer can incorporate different transition metals leading polyiminopyridine‐supported catalysts; in this paper we report the synthesis and catalytic performance of heterogenized complexes of abundant earth metals such as iron(II), cobalt(II) and chromium(III) (PIPy‐4MwFe, PIPy‐4MwCo and PIPy‐4MwCr). These supported metal‐polyiminopyridines have been applied as heterogeneous catalysts in the conversion of CO2 into cyclic carbonates, an interesting reaction to recycle CO2, and in another eco‐friendly reaction: the synthesis of additives for diesel fuels by acetalization of furfural. The cobalt and iron complexes have showed high efficiency and were reused without any significant change in their activities.

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Section: Resultsmentioning

confidence: 99%

Efficient and Reusable Metal Heterogeneous Catalysts for Conversion of CO₂Prepared from a Microwave Synthetized Porous Polyiminopyridine

Maya

González-Lucas

2017

ChemistrySelect

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“…12) bearing 2,6-bis( pyrazol-1ylmethyl) pyridine derivatives have been synthesized by Son and co-workers. 44 These complexes with DMAO as a cocatalyst were moderately active (1.1 × 10 4 g mol −1 h −1 atm −1 for 24d, 2.2 × 10 4 g mol −1 h −1 atm −1 for 24e) for ethylene polymerization, affording major PEs with very low molecular weight (M n = 9.5 × 10 2 g mol −1 for 24d, M n = 1.4 × 10 3 g mol −1 for 24e) and moderate molecular weight distributions (Đ = 1.7 for 24d, Đ = 2.5 for 24e).…”

Section: 1113group 5 Complexesmentioning

confidence: 99%

Transition metal complexes bearing tridentate ligands for precise olefin polymerization

Peng

Yan

et al. 2016

Polym. Chem.

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“…As an inexpensive material, polyethylene (PE) has drawn significant attention due to its excellent physical properties, such as high mechanical strength, high elasticity and high resistivity towards corrosion, light weightness, and reusability [1][2][3][4]. Normally, the polyethylene materials are prepared via the coordination polymerization using different categories of catalysts, among which metallocenes are very promising candidates that provide high activity and selectivity [5][6][7][8][9][10][11]. Many experimental and theoretical methodologies show that the structures of the metallocenes determine their macroscopic properties and catalytic behaviors.…”

Section: Introductionmentioning

confidence: 99%

Straightforward Design for Phenoxy-Imine Catalytic Activity in Ethylene Polymerization: Theoretical Prediction

Chasing

Maitarad

et al. 2018

Catalysts

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The quantitative structure-activity relationship (QSAR) of 18 Ti-phenoxy-imine (FI-Ti)-based catalysts was investigated to clarify the role of the structural properties of the catalysts in polyethylene polymerization activity. The electronic properties of the FI-Ti catalysts were analyzed based on density functional theory with the M06L/6-31G** and LANL2DZ basis functions. The analysis results of the QSAR equation with a genetic algorithm showed that the polyethylene catalytic activity mainly depended on the highest occupied molecular orbital energy level and the total charge of the substituent group on phenylimine ring. The QSAR models showed good predictive ability (R2) and R2 cross validation (R2cv) values of greater than 0.927. The design concept is “head-hat”, where the hats are the phenoxy-imine substituents, and the heads are the transition metals. Thus, for the newly designed series, the phenoxy-imine substituents still remained, while the Ti metal was replaced by Zr or Ni transition metals, entitled FI-Zr and FI-Ni, respectively. Consequently, their polyethylene polymerization activities were predicted based on the obtained QSAR of the FI-Ti models, and it is noteworthy that the FI-Ni metallocene catalysts tend to increase the polyethylene catalytic activity more than that of FI-Zr complexes. Therefore, the new designs of the FI-Ni series are proposed as candidate catalysts for polyethylene polymerization, with their predicted activities in the range of 35,000–48,000 kg(PE)/mol(Cat.)·MPa·h. This combined density functional theory and QSAR analysis is useful and straightforward for molecular design or catalyst screening, especially in industrial research.

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Synthesis, characterization, and ethylene polymerization behavior of Cr(III) catalysts based on bis(pyrazolylmethyl)pyridine and its derivatives

Cited by 7 publications

References 41 publications

Efficient and Reusable Metal Heterogeneous Catalysts for Conversion of CO₂Prepared from a Microwave Synthetized Porous Polyiminopyridine

Efficient and Reusable Metal Heterogeneous Catalysts for Conversion of CO₂Prepared from a Microwave Synthetized Porous Polyiminopyridine

Transition metal complexes bearing tridentate ligands for precise olefin polymerization

Straightforward Design for Phenoxy-Imine Catalytic Activity in Ethylene Polymerization: Theoretical Prediction

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Synthesis, characterization, and ethylene polymerization behavior of Cr(III) catalysts based on bis(pyrazolylmethyl)pyridine and its derivatives

Cited by 7 publications

References 41 publications

Efficient and Reusable Metal Heterogeneous Catalysts for Conversion of CO2Prepared from a Microwave Synthetized Porous Polyiminopyridine

Efficient and Reusable Metal Heterogeneous Catalysts for Conversion of CO2Prepared from a Microwave Synthetized Porous Polyiminopyridine

Transition metal complexes bearing tridentate ligands for precise olefin polymerization

Straightforward Design for Phenoxy-Imine Catalytic Activity in Ethylene Polymerization: Theoretical Prediction

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Product

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Efficient and Reusable Metal Heterogeneous Catalysts for Conversion of CO₂Prepared from a Microwave Synthetized Porous Polyiminopyridine

Efficient and Reusable Metal Heterogeneous Catalysts for Conversion of CO₂Prepared from a Microwave Synthetized Porous Polyiminopyridine