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Ethylene Tri- and Tetramerization: a Steric Parameter Selectivity Switch from X‑ray Crystallography and Computational Analysis

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Figshare2016-02-19 更新2026-04-29 收录
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A steric parameter (θN‑sub) is introduced to describe the steric bulk at the nitrogen atom on a range of PNP ligands used in ethylene tri- and tetramerization. This parameter was calculated for the free ligands and different metal complexes thereof and compared to catalytic data. A specific tendency is observed for the value of θN‑sub and 1-hexene selectivity, and a slight increase in 1-octene selectivity is found with increased bulkiness of the substituents on the nitrogen atom.

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2016-02-19
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