N2结合方式对以铁为基础的二功能化形成铁复合物的作用
Sean F McWilliams1, Eckhard Bill2, Gudrun Lukat-Rodgers3
1Department of Chemistry , Yale University , 225 Prospect Street , New Haven , Connecticut 06520 , United States.
Journal of the American Chemical Society
|June 30, 2018
概括
铁二复合物的比较显示,单体铁二化合物对化反应性比二核复合物更高. 这种反应性会影响产生的铁化合物.
科学领域:
- 无机化学
- 有机金属化学
- 材料科学
背景情况:
- 理解固定机制需要区分二 (N2) 复合物的反应性.
- 铁二复合物是催化转化中的关键中间体.
研究的目的:
- 为了比较K桥,双核FeNFe复合物的反应性与单体铁(0) 二复合物.
- 研究绑定模式和电子结构对N2功能化的影响.
- 描述由此产生的铁化合物及其磁性.
主要方法:
- 双核和单体铁二化合物的合成和表征.
- 与三甲基化 (TMSI) 进行化反应.
- 晶体学,光谱学 (例如,EPR) 和计算研究进行表征.
主要成果:
- 与二核复合物相比,单体铁(0) 二复合物对化反应性更强.
- 双化产生一个三坐标的铁(III) 化物(2-) 复合体.
- 铁 (III) 复合体在共存的S = 1/2和S = 3/2旋转状态之间表现出微妙的平衡.
结论:
- 结合方式在功能化反应中对铁-二复合物的反应性有显著影响.
- 电子特性,特别是电子密度在N2上,与反应性相关.
- 该研究提供了对基于铁的N2功能系统的金属依赖性,反应性和磁性行为的见解.
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