全金属芳香配合物的反应活性：甲烷活化反应的理论研究
The reactivity of all-metal aromatic complexes: a theoretical investigation on the methane activation reaction.
作者信息
Hu Xingbang, Li Haoran, Wang Congmin
机构信息
Department of Chemistry, Zhejiang University, Hangzhou 310027, P. R. China.
出版信息
J Phys Chem B. 2006 Jul 27;110(29):14046-9. doi: 10.1021/jp063417l.
The recent finding of all-metal aromaticity enlightens us to explore the reactivity of all-metal aromatic complexes. The methane activation reaction was chosen for this purpose. The whole catalysis process of all-metal aromatics was investigated by theoretical calculation. The results reveal that the reaction barriers with all-metal aromatic complexes are far lower than that without any catalysts. All-metal aromatic complexes are predicted to have potential to be used as catalysts for the first time.
最近全金属芳香性的发现启发我们去探索全金属芳香配合物的反应活性。为此选择了甲烷活化反应。通过理论计算研究了全金属芳烃的整个催化过程。结果表明，全金属芳香配合物的反应势垒远低于无任何催化剂时的反应势垒。首次预测全金属芳香配合物有潜力用作催化剂。
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