ISSN:
1572-879X
Keywords:
FeZSM-5 zeolites
;
selective oxidation of methane
;
dinitrogen monoxide
;
α-oxygen
;
binuclear iron-hydroxide clusters
;
peroxo fragment
;
Hartree-Fock and MP2 calculations
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract 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.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00807450
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