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
Molecular signatures of complex photodissociation reactions. All energy on earth comes from the sun, either directly (e.g photosynthesis) or indirectly (e.g fossil fuels). Photochemistry is the study of how this light is absorbed and what happens to a molecule afterwards. Despite significant experimental and theoretical advances in the past decade (some in our lab), scientists still cannot predict the outcomes of most photochemical reactions. In this project we will determine the reactivity o ....Molecular signatures of complex photodissociation reactions. All energy on earth comes from the sun, either directly (e.g photosynthesis) or indirectly (e.g fossil fuels). Photochemistry is the study of how this light is absorbed and what happens to a molecule afterwards. Despite significant experimental and theoretical advances in the past decade (some in our lab), scientists still cannot predict the outcomes of most photochemical reactions. In this project we will determine the reactivity of several small, fundamental organic molecules. Not only are these molecules pollutants around our cities, but discovery of how they react in the presence of light will allow us to understand and predict the photochemistry of a much wider range of organic species.Read moreRead less
Photodissociation Dynamics of Radicals and Molecules. Photodissociation dynamics involves studying fundamental chemical processes that underpin all chemical reactivity. We address three of the important unanswered questions in this field: i) how do the lessons learned from small molecules transfer to larger molecules? ii) can one control chemical reactivity by selecting specific states of the reactant?; and iii) are the dynamics of radicals fundamentally different to stable molecules? We wi ....Photodissociation Dynamics of Radicals and Molecules. Photodissociation dynamics involves studying fundamental chemical processes that underpin all chemical reactivity. We address three of the important unanswered questions in this field: i) how do the lessons learned from small molecules transfer to larger molecules? ii) can one control chemical reactivity by selecting specific states of the reactant?; and iii) are the dynamics of radicals fundamentally different to stable molecules? We will combine expertise in large molecule spectroscopy and photodissociation dynamics with technology in radical production to provide insight into these fundamental questions. Photodissociation dynamics is firmly embedded in photon science and technology.Read moreRead less
Graphene - the new frontier electromaterial for rechargeable lithium batteries and supercapacitors. Global warming and climate change have triggered an intensive demand for clean energy sources to replace fossil fuels. Graphene, as an emerging novel material, can serve as a medium for highly efficient energy storage and conversion in electrochemical devices. This project will lead to the development of novel renewable energy storage and conversion technology for transportation and distributed en ....Graphene - the new frontier electromaterial for rechargeable lithium batteries and supercapacitors. Global warming and climate change have triggered an intensive demand for clean energy sources to replace fossil fuels. Graphene, as an emerging novel material, can serve as a medium for highly efficient energy storage and conversion in electrochemical devices. This project will lead to the development of novel renewable energy storage and conversion technology for transportation and distributed energy supplies. The outcomes of this research will increase our national energy security, facilitate achievement of the Federal government's target of 20% renewable energy in 2020, and bring significant economic and environmental benefits for Australia.Read moreRead less
New insights into free radical reactivity via gas phase studies of radical anions. Free radicals are known to be critical reactive intermediates in chemical processes ranging from the formation of photochemical smog, through combustion to the onset of age-related diseases. This research increases our understanding of how free radicals react and will thus allow for more accurate prediction, and in some instances greater control, of the outcomes of chemical reactions and their health and environme ....New insights into free radical reactivity via gas phase studies of radical anions. Free radicals are known to be critical reactive intermediates in chemical processes ranging from the formation of photochemical smog, through combustion to the onset of age-related diseases. This research increases our understanding of how free radicals react and will thus allow for more accurate prediction, and in some instances greater control, of the outcomes of chemical reactions and their health and environmental consequences. New instrumental technologies will be developed and young Australian researchers will be trained here, and with collaborators in the USA, in state-of-the-art techniques (particularly in mass spectrometry) that are essential to our emerging technology-based economy.Read moreRead less
A new approach to the generation of long-lived charge-separated states in rigid Donor-Bridge-Acceptor systems. Electron transfer and energy transfer are ubiquitous in nature and they provide the key to the design of energy transducing materials. Considerable effort is being expended into studying light-induced electron transfer which leads to the formation of a charge-separated state or molecular "battery". To be useful, these batteries should have lifetimes at least in the microsecond domain ....A new approach to the generation of long-lived charge-separated states in rigid Donor-Bridge-Acceptor systems. Electron transfer and energy transfer are ubiquitous in nature and they provide the key to the design of energy transducing materials. Considerable effort is being expended into studying light-induced electron transfer which leads to the formation of a charge-separated state or molecular "battery". To be useful, these batteries should have lifetimes at least in the microsecond domain and this is not easily achieved in practice. This project will explore a new, elegant, and promising approach to the efficient generation of very long-lived charge-separated states in rigid systems, which is based on triplet sensitisation.
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Formation of organic pollutants in fires of treated and contaminated wood. This project quantifies the emission of dioxins and biphenyls in burning of treated and contaminated wood to provide data on whether combustion of such materials should be regulated in Australia and whether an educational campaign needs to be mounted to make public aware of this problem. For example, our preliminary results indicate that, timber treated with copper boron azole, a non-arsenic replacement for CCA preservat ....Formation of organic pollutants in fires of treated and contaminated wood. This project quantifies the emission of dioxins and biphenyls in burning of treated and contaminated wood to provide data on whether combustion of such materials should be regulated in Australia and whether an educational campaign needs to be mounted to make public aware of this problem. For example, our preliminary results indicate that, timber treated with copper boron azole, a non-arsenic replacement for CCA preservative, produces extremely high levels of dioxins, both in flames and in the ash. If the preliminary results are confirmed, this agent must be disallowed as a wood preservative in Australia, as it poses unacceptable risks to the Australian population and environment. Read moreRead less
Free Radicals in Chemistry and Biology: A Computational Quantum Chemistry Investigation. This proposal aims to carry out state-of-the-art chemistry research using computers rather than traditional laboratory techniques. Free radicals, which have widespread importance in the multibillion dollar polymer and health industries, form the centrepiece of the proposal. These are highly reactive substances that are difficult to study by conventional experimental techniques but ideal to study using compu ....Free Radicals in Chemistry and Biology: A Computational Quantum Chemistry Investigation. This proposal aims to carry out state-of-the-art chemistry research using computers rather than traditional laboratory techniques. Free radicals, which have widespread importance in the multibillion dollar polymer and health industries, form the centrepiece of the proposal. These are highly reactive substances that are difficult to study by conventional experimental techniques but ideal to study using computers. The increased understanding of free radicals that will stem from this research may help in dealing with ageing, and afflictions such as hardening of the arteries and vitamin B12 deficiency. It will also result in the training at the highest level of new generations of chemists in this exciting field of "chemistry with computers".Read moreRead less
Computational Quantum Chemistry Study of Molecular Structures, Stabilities and Reactions. Computational quantum chemistry is revolutionizing the study and practice of chemistry. We will use state-of-the-art computer calculations to investigate chemical structures, stabilities and reactions, particularly for free radicals. Radicals are of great importance in chemistry, biology and polymer science, but are difficult to study experimentally. We will use the computer calculations to determine how ....Computational Quantum Chemistry Study of Molecular Structures, Stabilities and Reactions. Computational quantum chemistry is revolutionizing the study and practice of chemistry. We will use state-of-the-art computer calculations to investigate chemical structures, stabilities and reactions, particularly for free radicals. Radicals are of great importance in chemistry, biology and polymer science, but are difficult to study experimentally. We will use the computer calculations to determine how to make radicals more stable, how they react to produce polymers, how they cause damage to proteins, and how they are involved in helping vitamin B12 make reactions go faster. We will create new methodologies in order to reliably achieve these goals.Read moreRead less
Assembly and Interactions of Helical Supramolecular Structures. The project in advanced materials is significant in probing an exciting topology in nanostructural assemblies - helicates - the understanding of the interactions of which will assist the development of optically pure molecules that are the key to high-value drugs, thus contributing to enhanced development in the specialty chemicals and pharmaceuticals industry. The research may result in economic benefits for Australia, since it wil ....Assembly and Interactions of Helical Supramolecular Structures. The project in advanced materials is significant in probing an exciting topology in nanostructural assemblies - helicates - the understanding of the interactions of which will assist the development of optically pure molecules that are the key to high-value drugs, thus contributing to enhanced development in the specialty chemicals and pharmaceuticals industry. The research may result in economic benefits for Australia, since it will develop synthetic materials with the potential to perform tasks in high optical purity essential drug synthesis. Further, it will enhance the knowledge and skills base within the country through training of highly applicable scientists for a growing national priority area. Read moreRead less