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Title: Supported Molecular Catalysts: Synthesis, in-situ Characterization and Performance

Technical Report ·
DOI:https://doi.org/10.2172/1057281· OSTI ID:1057281

The technological advantages of solid catalysts (robustness for operation at high temperatures, lack of corrosion, and ease of separation of products) can be combined with the advantages of soluble catalysts (e.g., selectivity) by synthesis of structurally discrete, nearly uniform catalysts on supports. Our goal is to synthesize, characterize, test, and model such catalysts and their reactions, thereby opening a door to unprecedented fundamental understanding of the properties of such materials. We employ molecular chemistry in nano-scale cages of zeolites and on surfaces of tailored porous solids for the precise synthesis of catalysts with discrete, uniform, well-defined sites, primarily mononuclear metal complexes, characterizing them (sometimes in the functioning state) with a broad range of complementary experimental techniques and using computational chemistry to interpret the results, map out reaction paths, provide bases for the design of new catalysts, improve methods of data analysis, and identify key experiments. The effort is directly in support of DOE's energy, environmental, and national security missions as well as the support of DOE's basic science mission to develop the tools and understanding needed for the success of the applied mission areas. The research is demonstrating progress in understanding, modeling, and controlling chemical reactivity at interfaces to develop a fundamental understanding of how to control catalytic reactions for a broad range of applications.

Research Organization:
University of Southern California, Los Angeles, CA
Sponsoring Organization:
USDOE
DOE Contract Number:
FG02-04ER15598
OSTI ID:
1057281
Report Number(s):
DOE/ER/15598-1
Country of Publication:
United States
Language:
English