A tetrahedrally coordinated L3Fe-Nx platform that accommodates terminal nitride (FeIVN) and dinitrogen (FeI-N2-FeI) ligands
A tetrahedrally coordinated L3Fe-Nx platform that accommodates terminal nitride (FeIVN) and dinitrogen (FeI-N2-FeI) ligands
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DOI：
10.1021/ja048713v
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发表时间：
2004-05-26
影响因子：
15
通讯作者：
Peters, JC
中科院分区：
文献类型：
--
作者：
Betley, TA;Peters, JC
描述了一种四面体配位的L3 Fe-Nx平台，其容纳末端氮化物（L3 FeIV-N）和二氮（L3 FeI-N2-FeIL 3）官能团。抗磁性的L3 FeIV N物种的特点已在环境条件下的溶液中，通过多核NMR（1H，31 P，和15 N）和红外光谱进行了表征。用密度泛函理论研究了配合物的电子结构。末端氮化物复合物氧化偶联生成先前报道的L3 FeI-N2-FeIL 3物种。该反应构成由两个铁中心介导的六电子转化。氮化物络合物的还原质子化释放NH3作为重要的反应产物。
A tetrahedrally coordinated L3Fe−Nxplatform that accommodates both terminal nitride (L3FeIV⋮N) and dinitrogen (L3FeI−N2−FeIL3) functionalities is described. The diamagnetic L3FeIV⋮N species featured has been characterized in solution under ambient conditions by multinuclear NMR (1H,31P, and15N) and infrared spectroscopy. The electronic structure of the title complex has also been explored using DFT. The terminal nitride complex oxidatively couples to generate the previously reported L3FeI−N2−FeIL3species. This reaction constitutes a six-electron transformation mediated by two iron centers. Reductive protonation of the nitride complex releases NH3as a significant reaction product.