Is [FeO](2+) the active center also in iron containing zeolites? A density functional theory study of methane hydroxylation catalysis by Fe-ZSM-5 zeolite.
Rosa
Angela
A
Dipartimento di Chimica, Università della Basilica, Via N. Sauro 85, 85100 Potenza, Italy. angela.rosa@unibas.it
Ricciardi
Giampaolo
G
Jan Baerends
Evert
E
D002384:Catalysis; D020134:Catalytic Domain; D005290:Ferric Compounds / Q000737:chemistry*; D006900:Hydroxylation; D058085:Iron Compounds / Q000737:chemistry; D008697:Methane / Q000737:chemistry*; D008956:Models, Chemical; D011789:Quantum Theory; D017641:Zeolites / Q000737:chemistry*
D005290:Ferric Compounds; D058085:Iron Compounds; D017641:Zeolites; C000499:ferric oxide; D008697:Methane