This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. A new binuclear iron model complex has been synthesized and characterized, which converts methane into methanol with high efficiency. The relative instability and short lifetime of its catalytic intermediate has thus far precluded obtaining structural data on this intermediate. It is proposed here to utilize x-ray absorption spectroscopy (edge and EXAFS) to address the electronic and geometric structure. The intermediate is thought to contain a mixed-valent site, specifically considered to be comprised of a six-coordinate ferrous center bridged to a six-coordinate ferryl-oxo moiety. Through prudent use of information obtained from data of the catalytic precursor and decay product, as well as from additional specific model complexes, the relative contributions of this mixture to the pre-edge, edge and EXAFS data of the intermediate will be separated, as described in the proposal. The characterization of this complex has several important implications: in the industrial conversion of methane to methanol, as an inorganic model complex, and as a model of the methanol-converting active site of methane monooxygenase.
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