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Title: Isotopic Studies of O-O Bond Formation During Water Oxidation (SISGR)

Isotopic Studies of O-O Bond Formation During Water Oxidation (SISGR) Research during the project period focused primarily on mechanisms of water oxidation by structurally defined transition metal complexes. Competitive oxygen isotope fractionation of water, mediated by oxidized precursors or reduced catalysts together with ceric, Ce(IV), ammonium nitrate in aqueous media, afforded oxygen-18 kinetic isotope effects (O-18 KIEs). Measurement, calculation, and interpretation of O-18 KIEs, described in the accompanying report has important ramifications for the production of electricity and solar hydrogen (as fuel). The catalysis division of BES has acknowledged that understanding mechanisms of transition metal catalyzed water oxidation has major ramifications, potentially leading to transformation of the global economy and natural environment in years to come. Yet, because of program restructuring and decreased availability of funds, it was recommended that the Solar Photochemistry sub-division of BES would be a more appropriate parent program for support of continued research.
Publication Date:
OSTI Identifier:
Report Number(s):
DOE Contract Number:
Resource Type:
Technical Report
Research Org:
John Hopkins University
Sponsoring Org:
USDOE; (Basic Energy Sciences/BES "Catalysis" division; Cognizant program official: Dr. Raul Mirada (via Dr. Paul Maupin) ; USDOE Office of Nuclear Energy (NE), Office of Radioisotope Power Systems (NE-34)
Country of Publication:
United States
14 SOLAR ENERGY; 08 HYDROGEN; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 07 ISOTOPE AND RADIATION SOURCES Oxygen, Competitive Oxygen-18 Kinetic Isotope Effects, Mechanisms of Water Oxidation Catalysis, Transition State Theory, Density Functional Theory