The Journal of Physical Chemistry C · 2016 · 35 citations · 76 references
Natural SciencesChemistryMaterials ScienceCatalysisMaterials ChemistrySolid-state ChemistryCatalyst CharacterizationCatalyst PreparationCatalyst SynthesisMetal CatalysisOlefin PolymerizationOrientation EffectsBall MillingDryingParticle Size ReductionPreferred OrientationZiegler - Natta CatalysisZiegler - Natta PolymerizationZiegler-natta CatalysisZiegler-natta Polymerization
MgCl 2 is a vital component of Ziegler–Natta catalysts for olefin polymerization. Here we synthesized anhydrous MgCl 2 using different drying protocols and exploited 1 H NMR to quantify the proton content. We report on our study of neat and ball-milled MgCl 2 samples by means of 25 Mg and 35 Cl solid-state NMR. DFT calculations of the quadrupole tensor aid in analysis of the spectra. The results show that, due to the morphology of the neat particles, a preferred orientation is induced which manifests itself in unusual powder line shapes. Ball milling reduces particle size, which subsequently leads to a small distribution of quadrupole parameters for the bulk. Surface sites, highly relevant for catalysis, are not directly observed, due to their broad lines of low intensity.
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Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations
Natural Sciences, Chemistry, Physics +13