3 years ago

Theoretical Investigation of Methane Hydroxylation over Isoelectronic [FeO]2+- and [MnO]+-Exchanged Zeolites Activated by N2O

Theoretical Investigation of Methane Hydroxylation over Isoelectronic [FeO]2+- and [MnO]+-Exchanged Zeolites Activated by N2O
Aleksandar Staykov, M. Haris Mahyuddin, Yoshihito Shiota, Kazunari Yoshizawa
The d4 isoelectronic systems of [FeO]2+ and [MnO]+ zeolites oxidize methane into methanol with different reaction mechanisms and activation barriers, mainly because of the differences in the metal coordination number and Oα spin density.

Publisher URL: http://dx.doi.org/10.1021/acs.inorgchem.7b01284

DOI: 10.1021/acs.inorgchem.7b01284

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