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Low-temperature selective oxidation of methane over distant binuclear cationic centers in zeolites
Authors: Tabor Edyta | Lemishka Mariia | Sobalik Zdenek | Mlekodaj Kinga | Andrikopoulos Prokopis C. | Dedecek Jiri | Sklenak Stepan
Year: 2019
Type of publication: článek v odborném periodiku
Name of source: Communications Chemistry
Publisher name: Nature Publishing Group
Place: London
Page from-to: "71-1"-"71-9"
Titles:
Language Name Abstract Keywords
cze Nízkoteplotní selektivní oxidace metanu na vzdálených binukleárních kationtových centrech zeolitů Vysoce aktivní kyslík dostupný pro selektivní oxidaci metanu na metanol při nízkých teplotách může být připraven iontovou výměnou v zeolitech. molekulární dynamika; DFT; zeolit; selektivní oxidace; přechodné kovy
eng Low-temperature selective oxidation of methane over distant binuclear cationic centers in zeolites Highly active oxygen capable to selectively oxidize methane to methanol at low temperature can be prepared in transition-metal cation exchanged zeolites. Here we show that the alpha-oxygen stabilized by the negative charges of two framework aluminum atoms can be prepared by the dissociation of nitrous oxide over distant binuclear cation structures (M(II) ... M (II), M = cobalt, nickel, and iron) accommodated in two adjacent 6-rings forming cationic sites in the ferrierite zeolite. This alpha-oxygen species is analogous to that known only for iron exchanged zeolites. In contrast to divalent iron cations, only binuclear divalent cobalt cationic structures and not isolated divalent cobalt cations are active. Created methoxy moieties are easily protonated to yield methanol, formaldehyde, and formic acid which are desorbed to the gas phase without the aid of water vapor while previous studies showed that highly stable methoxy groups were formed on isolated iron cations in iron exchanged ZSM-5 zeolites. initio molecular-dynamics; total-energy calculations; o-t vibrations; n2o decomposition; computer experiments; classical fluids; periodic dft; alpha-sites; fe-bea; benzene

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