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Volume 3, Issue 2 (Suppl)
Trends in Green chem
ISSN: 2471-9889
Environmental & Green Chemistry 2017
July 24-26, 2017
Page 23
5
th
International Conference on
6
th
International Conference on
July 24-26, 2017 Rome, Italy
Environmental Chemistry and Engineering
Green Chemistry and Technology
&
Elucidation of the electronic structure of metal-oxo reactive species in porous media for the oxidation of
methane and ethane
Konstantinos D Vogiatzis
University of Tennessee, USA
H
igh-valent metal-oxo species attract considerable interest due to their catalytic role in oxygenation reactions as active
intermediates. A synthetic route that has successfully applied in functional materials is the introduction of reactive species
inside porous materials that mimic the nuclearity and reactivity of active sites of enzymatic analogues, such as the methane mono-
oxygenase and non-heme enzymes. Metal-organic frameworks (MOFs) and zeolites are porous materials that can offer advantageous
coordination environments for the formation of such highly reactive species. Two such examples will be discussed. The first is the
iron-containing MOF, Fe0.1Mg1.9(dobdc) (dobdc4‒ = 2,5‒dioxido‒1,4‒benzene-dicarboxylate), which was reported to catalyze the
oxidation of ethane to ethanol in the presence of nitrous oxide. The catalytic activity of the iron-containing MOF was attributed to
an uncommon high-spin iron (IV)-oxo intermediate. The second part of this talk is related to the unique [Cu
3
O
3
]
2-
ring intermediate
deposited on the mordenite zeolite. The tricopper cluster site was reported to catalyze the oxidation of methane to methanol. The
multireference character of this single-site active site affects its catalytic behavior and thus, its electronic structure was examined by
multi-configurational wave function methods.
Biography
Konstantinos D Vogiatzis completed his BS in Chemistry at the University of Athens, Greece, in 2006 and he obtained his Master’s (MSc) in Applied Molecular
Spectroscopy from the University of Crete, Greece, in 2008. He received his PhD in 2012 from the Karlsruhe Institute of Technology, Germany, where he developed
a highly accurate coupled-cluster scheme in the group of Prof. Wim Klopper. After an eight-month Post-doctoral appointment at the Institute of Nanotechnology at
the Karlsruhe Institute of Technology, Germany, he moved to the University of Minnesota (UMN) in 2014 where he performed Post-doctoral Research in the group of
Prof. Laura Gagliardi. His research at the UMN focused on the catalytic and sorption properties of metal-organic frameworks (MOFs), and on the development and
application of strongly correlated methods. In 2016, he joined the University of Tennessee as an Assistant Professor of Theoretical and Computational Chemistry.
kvogiatz@utk.eduKonstantinos D Vogiatzis, Trends in Green chem, 3:2
DOI: 10.21767/2471-9889-C1-002