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Mechanism of Oxidation of Ethane to Ethanol at Iron(IV)–Oxo Sites in Magnesium-Diluted Fe2(dobdc)

Catalysis Electronic Structure - Modeling Properties Metal Organic Frameworks

Publication Details

  • Authors: P. Verma, K. Vogiatzis, N. Planas, J. Borycz, D. J. Xiao, J. R. Long, L. Gagliardi, and D. G. Truhlar
  • Publication Number: 206
  • Year: 2015
  • Journal: J. Am. Chem. Soc.

Full Citation

P. Verma, K. Vogiatzis, N. Planas, J. Borycz, D. J. Xiao, J. R. Long, L. Gagliardi, and D. G. Truhlar, Mechanism of Oxidation of Ethane to Ethanol at Iron(IV)–Oxo Sites in Magnesium-Diluted Fe2(dobdc), J. Am. Chem. Soc., 2015, 137, 5770–5781. DOI: 10.1021/jacs.5b00382