用于氨氧化的五吡啶基金属配合物的设计与反应活性
Design and reactivity of pentapyridyl metal complexes for ammonia oxidation.
作者信息
Johnson Samantha I, Heins Spencer P, Klug Christina M, Wiedner Eric S, Bullock R Morris, Raugei Simone
机构信息
Center for Molecular Electrocatalysis, Pacific Northwest National Laboratory, P.O. Box 999, Richland, Washington 99352, USA.
出版信息
Chem Commun (Camb). 2019 Apr 25;55(35):5083-5086. doi: 10.1039/c9cc01249d.
Oxidation of NH3 to N2 by pentapyridyl metal complexes via hydrogen atom abstraction was investigated computationally. Quantum chemical analysis reveals insights on orbital symmetry requirements for efficient NH3 oxidation. The most promising complex, [(PY5)Mo(NH3)]2+, was studied experimentally. It shows conversion of NH3 to N2 upon treatment with 2,4,6-tri-tert-butylphenoxyl radical.
通过计算研究了五吡啶基金属配合物通过氢原子提取将NH₃氧化为N₂的过程。量子化学分析揭示了高效NH₃氧化对轨道对称性要求的见解。对最有前景的配合物[(PY5)Mo(NH₃)]²⁺进行了实验研究。在用2,4,6-三叔丁基苯氧基自由基处理后，它显示出NH₃向N₂的转化。
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