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Computational Study of Small Molecule Activation via Low-Coordinate Late First-Row Transition Metal Complexes

Description: Methane and dinitrogen are abundant precursors to numerous valuable chemicals such as methanol and ammonia, respectively. However, given the robustness of these substrates, catalytically circumventing the high temperatures and pressures required for such transformations has been a challenging task for chemists. In this work, computational studies of various transition metal catalysts for methane C-H activation and N2 activation have been carried out. For methane C-H activation, catalysts of th… more
Date: May 2010
Creator: Pierpont, Aaron
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
open access

Pathways for C—H Activation and Functionalization by Group 9 Metals

Description: As fossil fuel resources become more and more scarce, attention has been turned to alternative sources of fuels and energy. One promising prospect is the conversion of methane (natural gas) to methanol, which requires an initial activation of a C-H bond and subsequent formation of a C-O bond. The most well studied methodologies for both C-H activation and C-O bond formation involve oxidation of the metal center. Metal complexes with facile access to oxidation states separated by four charge uni… more
Date: May 2015
Creator: Pahls, Dale R.
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
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