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Gas phase studies of reactive organic radicals: a novel approach using mass spectrometry. Radical reactions play a crucial role in a range of important chemistries, ranging from the formation of photochemical smog to the accumulation of pathogens in the ageing body. Despite their importance, the reactions of many radicals are poorly understood because of current experimental limitations. In this project we propose to develop two new and broadly applicable techniques for probing radical chemistry ....Gas phase studies of reactive organic radicals: a novel approach using mass spectrometry. Radical reactions play a crucial role in a range of important chemistries, ranging from the formation of photochemical smog to the accumulation of pathogens in the ageing body. Despite their importance, the reactions of many radicals are poorly understood because of current experimental limitations. In this project we propose to develop two new and broadly applicable techniques for probing radical chemistry in the gas phase via novel applications of mass spectrometry. Combined with quantum chemical calculations and state-of-the-art thermodynamic measurements these methods will provide a comprehensive understanding of the reactivity of key organic radicals.Read moreRead less
Hydrogen Bonding, Hydrogen Transfer, Hydrogenation and Hydrogenolysis: A Computational Quantum Chemistry Investigation. This proposal aims to carry out state-of-the-art chemistry research using computer modelling rather than traditional laboratory methods. The computer calculations are directed towards designing catalysts that will provide more efficient ways to convert environmentally harmful carbon dioxide to a valuable chemical fuel methanol, and to convert toxic polychlorinated hydrocarbon ....Hydrogen Bonding, Hydrogen Transfer, Hydrogenation and Hydrogenolysis: A Computational Quantum Chemistry Investigation. This proposal aims to carry out state-of-the-art chemistry research using computer modelling rather than traditional laboratory methods. The computer calculations are directed towards designing catalysts that will provide more efficient ways to convert environmentally harmful carbon dioxide to a valuable chemical fuel methanol, and to convert toxic polychlorinated hydrocarbon wastes to benign products. The increased understanding of free radicals that will stem from this research may ultimately help in dealing with problems associated with heart disease, some forms of cancer and vitamin B12 deficiency. New generations of chemists will be trained at the highest level in this burgeoning field of computational chemistry.Read moreRead less