铁(IV)-氧杂卟啉阳离子自由基氧化剂引发的 H-原子摘取反应的预测研究。
Predictive studies of H-atom abstraction reactions by an iron(IV)-oxo corrole cation radical oxidant.
机构信息
Department of Chemistry and Nano Science, Department of Bioinspired Science, Centre for Biomimetic Systems, Ewha Womans University, Seoul 120-750, Korea.
出版信息
Chem Commun (Camb). 2012 Apr 11;48(29):3491-3. doi: 10.1039/c2cc30365e. Epub 2012 Mar 1.
PMID:22377754
Abstract
Density functional theory calculations compare the reactivity of iron(IV)-oxo porphyrin and corrole cation radical species in H-atom abstraction reactions.
摘要
密度泛函理论计算比较了铁(IV)-氧代卟啉和冠状阳离子自由基物种在 H 原子攫取反应中的反应活性。
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