首页> 外文期刊>Journal of the American Chemical Society >[Cu_3(μ-S)_2]~(3+) Clusters Supported by N-Donor Ligands: Progress Toward a Synthetic Model of the Catalytic Site of Nitrous Oxide Reductase
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[Cu_3(μ-S)_2]~(3+) Clusters Supported by N-Donor Ligands: Progress Toward a Synthetic Model of the Catalytic Site of Nitrous Oxide Reductase

机译:N-供体配体支持的[Cu_3(μ-S)_2]〜(3+)团簇:一氧化二氮还原酶催化位点合成模型的进展

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摘要

We have prepared a novel [Cu_3(μ-S)_2]~(3+) cluster supported by N-donor ligands that models structural attributes of the N2OR Cuz site. Experimental data support a delocalized mixed-valent electronic structure distinct from the localized core of a previously reported oxygen analogue, and this difference is rationalized by the results of DFT calculations.
机译:我们准备了一个由N-供体配体支持的新型[Cu_3(μ-S)_2]〜(3+)簇,该簇模拟了N2OR Cuz位点的结构属性。实验数据支持与以前报道的氧类似物的局部核不同的离域混合价电子结构,这种差异通过DFT计算的结果得以合理化。

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