新型的合成,结构特征和理论分析 (二) schiff基复合物与和结合相互作用
Md Gishan1, Puspendu Middya1, Michael G B Drew2
1Department of Chemistry, Jadavpur University Kolkata 700032 India shouvik.chattopadhyay@jadavpuruniversity.in.
RSC advances
|September 30, 2024
概括
三种新的 (II) 复合物与希夫基联体被合成和特征化. 它们的固态结构揭示了各种分子间相互作用,包括素键,键和CHπ相互作用,影响了超分子组装.
科学领域:
- 协调化学 协调化学
- 超分子化学 超分子化学
- 材料科学 材料科学 材料科学
背景情况:
- 希夫基联体是协调化学中的多功能构建块.
- 了解分子间相互作用是设计功能材料的关键.
研究的目的:
- 合成和表征新型 (II) 复合物与三酸希夫基联体.
- 研究固态结构和自组装机制.
- 分析晶体工程中非共价相互作用的作用.
主要方法:
- 合成 (II) 复合物和希夫基联结物.
- 单晶X射线衍射用于结构确定.
- 密度函数理论 (DFT) 的计算.
- 分子中的原子量子理论 (QTAIM) 和非共价相互作用 (NCI) 图谱分析.
主要成果:
- 三种 (II) 复合物[Zn(HL^1)_2],[Zn(HL^2)_2]·2H_2O和[Zn(HL^3)_2]成功合成并从结构上阐明.
- 综合体1显示了双素结合 (BrBr和BrO) 相互作用.
- 复合物2通过涉及格子水的键形成1D超分子聚合物.
- 综合体3展示了H键和CHπ相互作用导致1D链形成.
结论:
- 该研究强调了希夫基联体在形成复杂的 ((II) 协调复合体中的多样性作用.
- 分子间相互作用,包括素键,键和CHπ相互作用,对于指导这些复合体在固态中的自我组装至关重要.
- 这些发现有助于对晶体工程的理解和新型超分子架构的设计.
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