铁 (II) 复合体的P-链联体:结构多样性
Tamás Holczbauer1, Dalma Gál2, János Rohonczy3
1Centre for Structural Science and Institute for Organic Chemistry, HUN-REN Research Centre for Natural Sciences, Magyar Tudósok körútja 2, 1117, Budapest, Hungary.
Chemistry (Weinheim an der Bergstrasse, Germany)
|October 7, 2023
概括
研究人员用独特的含配体合成了新的铁 (II) 复合物. 连接体结构和替代剂大小影响得到的复合体.
科学领域:
- 有机金属化学 有机金属化学
- 协调化学 协调化学
- 酸盐化学 酸盐化学
背景情况:
- 铁复合物与基连接体在催化和材料科学中至关重要.
- 了解连接体结合模式是控制复杂反应性和属性的关键.
- 三酸配体由于其独特的PPP脊柱,提供了多样化的协调可能性.
研究的目的:
- 为了合成和表征具有R2P-P-PR2三联体的新型铁 (II) 复合物.
- 研究替代剂大小 (R=tBu, iPr) 对连接体结合模式和复合体形成的影响.
- 探索这些铁复合体中不同异构体和酸盐结构的形成.
主要方法:
- 合成铁(II) - 三酸复合物的转化反应.
- 核磁共振 (NMR) 光谱用于溶液状态的表征.
- 单晶X射线衍射用于固态结构的确定.
- 密度函数理论 (DFT) 计算以支持合成发现.
主要成果:
- 与R2P-P-PR2连接体的铁 (II) 复合物的合成.
- 形成两个同位素与R=tBu:一个 ylidic (终端P与Fe结合) 和一个与中心P与Fe结合.
- 与R=iPr (两个终端P原子与Fe结合) 形成的酸盐复合体.
- 在使用混合替代三酸盐时,更喜欢基结构.
结论:
- 三酸连接体上的替代剂的大小显著决定了与铁 (II) 中心的结合模式.
- 立体效应控制着 ylidic,中心结合或酸盐异构体的形成.
- 这项研究提供了关于铁复合体的合理设计的见解,具有量身定制的连接物协调.
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