title: The reactivity of all-metal aromatic complexes: a theoretical investigation on the methane activation reaction.
abstract: 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.
authors.affiliation: Department of Chemistry, Zhejiang University, Hangzhou 310027, P. R. China.
authors.forename: Xingbang
authors.initials: X
authors.lastname: Hu
authors.forename: Haoran
authors.initials: H
authors.lastname: Li
authors.forename: Congmin
authors.initials: C
authors.lastname: Wang
mesh_terms: 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
chemical_list: D006841:Hydrocarbons, Aromatic; D009942:Organometallic Compounds; D000535:Aluminum; D008697:Methane; D002118:Calcium