화학공학소재연구정보센터
Catalysis Letters, Vol.40, No.1-2, 17-23, 1996
Selective Oxidation of Methane by Dinitrogen Monoxide on Fezsm-5 Zeolites - Ab-Initio Quantum-Chemical Analysis
On the basis of ab initio quantum chemical calculations, we propose the structure and energetics of the species taking part in the selective oxidation of methane by dinitrogen monoxide on FeZSM-5 zeolites. The immediate oxidizing site is reasonably represented by a binuclear iron-hydroxide cluster with a peroxo-like fragment located between iron atoms.