Scholarlink

<p>Two novel open-chain polyether ligands, BPht-14 and BPPT-14, were synthesized through nucleophilic substitution reactions and characterized by FT-IR and <sup>1</sup>H NMR. Liquid–liquid extraction experiments revealed that BPPT-14 exhibited higher Sr<sup>2+</sup> extraction efficiency than BPht-14, reaching equilibrium within 60&#xa0;min at pH 5.5. Thermodynamic and kinetic analyses confirmed a spontaneous, exothermic, and chemically controlled process. DFT calculations combined with AIM, Mayer bond order, IGMH, and IRI analyses demonstrated that BPPT-14 possesses stronger coordination ability and greater structural stability due to its hydrophobic side chain and favorable electronic structure.</p>

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

Extraction experiments and DFT calculations of open-chain polyether ligands for strontium

  • 期刊论文

  • 发表日期：

    2026年4月28日

查看全文
  • Qifeng Lai,
  • Zhi Gao,
  • Feiqiang He,
  • Xing Zhong,
  • Zhuyao Li,
  • Ying Dai

摘要

Two novel open-chain polyether ligands, BPht-14 and BPPT-14, were synthesized through nucleophilic substitution reactions and characterized by FT-IR and 1H NMR. Liquid–liquid extraction experiments revealed that BPPT-14 exhibited higher Sr2+ extraction efficiency than BPht-14, reaching equilibrium within 60 min at pH 5.5. Thermodynamic and kinetic analyses confirmed a spontaneous, exothermic, and chemically controlled process. DFT calculations combined with AIM, Mayer bond order, IGMH, and IRI analyses demonstrated that BPPT-14 possesses stronger coordination ability and greater structural stability due to its hydrophobic side chain and favorable electronic structure.