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January 14, 2026Dalton Transactions0 citations

Effects of Labile Ligands and Substituents in Nickel Enolate Catalysts on Ethylene/Acrylate Copolymerization Activity: A DFT Study

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YWYing WangXXXiaowei XuYLYi Luo

Key Points

  • To understand how different ligands and substituents affect the activity of nickel enolate catalysts in copolymerization.
  • Used density functional theory (DFT) for simulations
  • Analyzed copolymerization mechanisms of ethylene with tert-butyl acrylate (tBA)
  • Compared various neutral nickel enolate complexes with distinct substituents
  • Identified specific ligand effects on catalytic activity
  • Found that substituents significantly influence copolymerization efficiency
  • Demonstrated a clear relationship between ligand structure and reaction behavior

Abstract

In this study, density functional theory (DFT) was employed to investigate the copolymerization mechanism of ethylene with tert -butyl acrylate (tBA) catalyzed by neutral nickel enolate complexes featuring distinct substituents. It...

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Cite This Study

Wang et al. (2026) studied this question.

synapsesocial.com/papers/696719c1c0d1e3cfbfce92d0https://doi.org/10.1039/d5dt02237a
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Also Consider

Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context:

  1. 1Effect of Interactions Between the Ligand Distal Group and Cocatalyst in Nickel(<scp>II</scp>)‐Catalyzed Ethylene Polymerization2025
  2. 2Switchable Synthesis of Ethylene/Acrylate Copolymers by a Dinickel Catalyst: Evidence for Chain Growth on Both Nickel Centers and Concepts of Cation Exchange Polymerization2024 · 9 citations
  3. 3Phosphine–Urea-Supported Nickel Catalyst for Ethylene/Acrylate Copolymerization2026
  4. 4Mutual Impact of Benzhydryl and Benzhydryloxy Groups on Enhancing Thermal Stability of α‐Diiminonickel Precatalysts for Plastomeric Polyethylene2025
  5. 5Synthesis of <i>tert</i> ‐Butyl Substituted Neutral Phosphine–Phenolate Nickel Catalysts for Ethylene Polymerization2025