Hydrogen Abstraction in Chemical, Biochemical and Polymerization Processes. Hydrogen-abstraction reactions are of vital importance in the chemical, biochemical and polymerization processes that occur in everyday life. The objective of the proposed research is to improve our understanding of such reactions. State-of-the-art quantum chemistry calculations will be used to examine a broad range of hydrogen-abstraction reactions, and to obtain accurate information about the factors that influence suc ....Hydrogen Abstraction in Chemical, Biochemical and Polymerization Processes. Hydrogen-abstraction reactions are of vital importance in the chemical, biochemical and polymerization processes that occur in everyday life. The objective of the proposed research is to improve our understanding of such reactions. State-of-the-art quantum chemistry calculations will be used to examine a broad range of hydrogen-abstraction reactions, and to obtain accurate information about the factors that influence such reactions. Building on this work, more detailed case studies will be performed in two important areas: the hydrogen-abstraction steps in biochemical reactions mediated by coenzyme B12, and chain-transfer processes in conventional and controlled free-radical polymerization.Read moreRead less
The mechanism of water splitting in photosynthesis. Sunlight reaching the earth is used by the vast body of plants and algae living in surface waters and on the land to drive photosynthesis. One of the most fundamental contributions that photosynthesis provides to the Biosphere is the gaseous oxygen produced by its water-splitting chemistry - ~300 gigatons of O2 are released into the atmosphere per year. However, the mechanism behind water-splitting is not precisely known. We will use a range o ....The mechanism of water splitting in photosynthesis. Sunlight reaching the earth is used by the vast body of plants and algae living in surface waters and on the land to drive photosynthesis. One of the most fundamental contributions that photosynthesis provides to the Biosphere is the gaseous oxygen produced by its water-splitting chemistry - ~300 gigatons of O2 are released into the atmosphere per year. However, the mechanism behind water-splitting is not precisely known. We will use a range of unique experimental approaches to determine the molecular mechanism of the photosynthetic water-splitting chemistry. The understanding of this reaction will provide the molecular blueprint for the development of efficient biocatalysts to generate H2 and O2 from water.Read moreRead less