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Flavone complexes of Ti and Zr active in ethylene polymerization

Paper ID Volume ID Publish Year Pages File Format Full-Text
40079 45843 2013 11 PDF Available
Title
Flavone complexes of Ti and Zr active in ethylene polymerization
Abstract

•Synthesis and characterization of two new Ti and Zr flavonoid complexes.•The ligands come from natural and renewable sources.•Those two complexes can be applied as catalysts for olefin polymerization.•A complete electrochemical study of the new complexes was done and related with their catalytic ability in olefin polymerization.•A theoretical study of the possible isomers and its energies was also performed.

Two new complexes of Ti and Zr were synthesized with 3-hydroxyflavone bidentate ligand and investigated in homogeneous ethylene polymerization. Both complexes were characterized by UV–VIS, 1H and 13C NMR, and electrochemical studies. The geometries and energies of all possible isomeric species were studied by full unconstrained optimizations performed at Density Functional Theory (DFT) level. The polymerization reactions were performed at different experimental conditions with methylaluminoxane (MAO), as the cocatalyst. Both complexes were active in ethylene polymerization in all the conditions used. However, zirconium complex showed the best activity comparing to the titanium complex at 2500 Al/M ratio. The polymers obtained were high density polyethylene with ultra high molecular weights.

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Keywords
Synthesis; Complex; 3-Hydroxyflavone; Catalyst; Polyethylene
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Flavone complexes of Ti and Zr active in ethylene polymerization
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Publisher
Database: Elsevier - ScienceDirect
Journal: Applied Catalysis A: General - Volume 467, 2 October 2013, Pages 439–449
Authors
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Subjects
Physical Sciences and Engineering Chemical Engineering Catalysis
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Don't Miss Today's Special Offer
Price was $35.95
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