The reactivity of all-metal aromatic complexes: a theoretical investigation on the methane activation reaction.
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.
Hu
Xingbang
X
Department of Chemistry, Zhejiang University, Hangzhou 310027, P. R. China.
Li
Haoran
H
Wang
Congmin
C
D000535:Aluminum / Q000737:chemistry*; D002118:Calcium / Q000737:chemistry*; D003198:Computer Simulation; D006841:Hydrocarbons, Aromatic / Q000737:chemistry*; D008697:Methane / Q000737:chemistry*; D008956:Models, Chemical; D009942:Organometallic Compounds / Q000737:chemistry*; D011789:Quantum Theory
D006841:Hydrocarbons, Aromatic; D009942:Organometallic Compounds; D000535:Aluminum; D008697:Methane; D002118:Calcium