Conversion of methane to methyl trifluoroacetate by NHC ruthenium complexes under mild conditions

Liquid-phase methane activation by ruthenium complexes has been studied using a combination of experiments and quantum-chemical calculation. Surprisingly, methane can be converted to methyl trifluoroacetate efficiently under mild conditions, and the bis(NHC) ligand outperforms the other two employed. The associated electronic origins of the excellent performance of the ruthenium complex - in particular the ligand effects - have been discussed, and the dative C & RARR; Ru interaction as well as the structural distortion of the bis(NHC) plane are found responsible. This work reveals the promising role ruthenium may play in the construction of organometallic catalysts for efficient methane conversion.