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首页> 外文期刊>Angewandte Chemie >C-H Bond Activation by Metal-Superoxo Species: What Drives High Reactivity?
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C-H Bond Activation by Metal-Superoxo Species: What Drives High Reactivity?

机译:金属超氧物种对C-H键的活化作用:什么驱动了高反应活性?

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摘要

Metal-superoxo species are ubiquitous in metalloenzymes and bioinorganic chemistry and are known for their high reactivity and their ability to activate inert CH bonds. The comparative oxidative abilities of M-O-2(.-) species (M=Cr-III, Mn-III, Fe-III, and Cu-II) towards CH bond activation reaction are presented. These superoxo species generated by oxygen activation are found to be aggressive oxidants compared to their high-valent metal-oxo counterparts generated by OO bond cleavage. Our calculations illustrate the superior oxidative abilities of Fe-III- and Mn-III-superoxo species compared to the others and suggest that the reactivity may be correlated to the magnetic exchange parameter.
机译:金属超氧物种在金属酶和生物无机化学中无处不在,并以其高反应活性和激活惰性CH键的能力而闻名。提出了M-O-2(.-)物种(M = Cr-III,Mn-III,Fe-III和Cu-II)对CH键活化反应的比较氧化能力。与通过OO键裂解产生的高价金属-氧代对应物相比,发现通过氧活化产生的这些超氧代物质是侵蚀性氧化剂。我们的计算说明了Fe-III-和Mn-III-超氧物种比其他物种具有更高的氧化能力,并表明反应性可能与磁交换参数有关。

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