Mechanism of Oxidation of Ethane to Ethanol at lron(IV)-Oxo Sites in Magnesium-Diluted Fe(dobdc).

The catalytic properties of the metal-organic framework Fe(dobdc), containing open Fe(ll) sites, include hydroxylation of phenol by pure Fe(dobdc) and hydroxylation of ethane by its magnesium-diluted analogue, FeMg(dobdc). In earlier work, the latter reaction was proposed to occur through a redox me...

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Bibliographic Details

Published in:	Journal of the American Chemical Society Vol. 137; no. 17; pp. 5770 - 5782
Main Authors:	Verma, Pragya, Vogiatzis, Konstantinos D., Planas, Nora, Borycz, Joshua, Xiao, Dianne J., Long, Jeffrey R., Gagliardi, Laura, Truhlar, Donald G.
Format:	Article
Published:	American Chemical Society 5/6/2015
Subjects:	Catalysis synthesis Carbon-hydrogen bonds Ethanes Density functionals Ethanol Chemical symbiosis
Online Access:	View this record in EBSCOhost