Predicting Environmental Effects on Structure and Reactivity. This project tackles one of the most important and fundamental problems in theoretical chemistry: solvent effects on chemical reactions. The new methods and computer programs generated will be freely available to the Australian (and international) scientific communitities and will further enhance Australia's strong reputation in Theoretical Chemistry.
The applications chosen will allow new technologies in biosensing and strategies in ....Predicting Environmental Effects on Structure and Reactivity. This project tackles one of the most important and fundamental problems in theoretical chemistry: solvent effects on chemical reactions. The new methods and computer programs generated will be freely available to the Australian (and international) scientific communitities and will further enhance Australia's strong reputation in Theoretical Chemistry.
The applications chosen will allow new technologies in biosensing and strategies in computational drug design to be investigated. This will benefit the Australian biotechnology and pharmaceutical industries and may substantially aid in understanding the mechanism and treatment of disease. Read moreRead less
Reactivity and photochemistry of halide anions: atmospheric implications. Bromine and iodine are suspected to be responsible for most of the halogen-induced ozone loss in the stratosphere but are not currently included in atmospheric models due to a paucity of knowledge of the gas-phase chemistry and photochemistry of their anions and radicals. This project will develop and deploy advanced mass spectrometry and laser spectroscopy techniques to enable precision measurements of the reactions and p ....Reactivity and photochemistry of halide anions: atmospheric implications. Bromine and iodine are suspected to be responsible for most of the halogen-induced ozone loss in the stratosphere but are not currently included in atmospheric models due to a paucity of knowledge of the gas-phase chemistry and photochemistry of their anions and radicals. This project will develop and deploy advanced mass spectrometry and laser spectroscopy techniques to enable precision measurements of the reactions and photo-reactions of gas-phase iodide and bromide anions and their oxides. These state-of-the-art measurements of reaction kinetics and products will enable accurate chemical models that predict the impact of bromine and iodine chemistry on ozone levels and will inform future models for global climate.Read moreRead less
Atmospheric Photothermal Oxidation as a New Reaction in the Atmosphere. Atmospheric models provide crucial advice on the current and future impacts of human activity on the atmosphere. This project hypothesizes the presence of a new class of chemical reactions that are unknown in atmospheric science and therefore missing from the best existing models. The reactions require both sunlight and air, and they behave differently to all other types of atmospheric reactions. This project aims to charact ....Atmospheric Photothermal Oxidation as a New Reaction in the Atmosphere. Atmospheric models provide crucial advice on the current and future impacts of human activity on the atmosphere. This project hypothesizes the presence of a new class of chemical reactions that are unknown in atmospheric science and therefore missing from the best existing models. The reactions require both sunlight and air, and they behave differently to all other types of atmospheric reactions. This project aims to characterise these reactions in the lab, understand them with theory, and quantify their global impact through modelling. Expected benefits include new understanding of atmospheric chemistry, more accurate model predictions, and—as a result—better strategies for managing the impacts of human activity on the environment.Read moreRead less
Chemistry at the threshold: unusual mechanisms and unexpected products. The chemical processes in combustion and in the atmosphere are complex and understood incompletely; for example 30-60 million tonnes of acids in the atmosphere are unaccounted for. The project will measure and model three new chemical processes that may account for the atmospheric acids, and other unexplained occurrences in combustion chemistry.
Atmospheric photochemistry - it's a lot more complicated than we thought. The project plans to develop a more accurate model of the changing atmosphere. The chemical composition of Earth’s atmosphere is changing because of anthropogenic activities. Predicting the consequences of this change requires accurate chemical models. The hydroxyl radical (OH) is the most important radical in the atmosphere, yet atmospheric models predict its concentration in forested regions to be about 10 times lower th ....Atmospheric photochemistry - it's a lot more complicated than we thought. The project plans to develop a more accurate model of the changing atmosphere. The chemical composition of Earth’s atmosphere is changing because of anthropogenic activities. Predicting the consequences of this change requires accurate chemical models. The hydroxyl radical (OH) is the most important radical in the atmosphere, yet atmospheric models predict its concentration in forested regions to be about 10 times lower than measured. These models also predict the amount of organic acids to be lower than measured. This project hypothesises two new chemical processes to account for these discrepancies. Photo-isomerisation of carbonyls to enols is suggested to be a source of organic acids. Reaction of extraordinarily hot carbonyl photofragments with oxygen is hypothesised to be an important source of OH 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
Helium droplets: a nanoscale laboratory for studying intermolecular bonding and chemical reactivity. This type of research requires a rather complicated apparatus capable of creating a stream of helium droplets, embedding molecules and interrogating their properties using laser spectroscopy. The apparatus built in Sydney is the only one capable of this in Australia and using this new apparatus we will create many novel, bizarre and intriguing aggregates of molecules and atoms. The project involv ....Helium droplets: a nanoscale laboratory for studying intermolecular bonding and chemical reactivity. This type of research requires a rather complicated apparatus capable of creating a stream of helium droplets, embedding molecules and interrogating their properties using laser spectroscopy. The apparatus built in Sydney is the only one capable of this in Australia and using this new apparatus we will create many novel, bizarre and intriguing aggregates of molecules and atoms. The project involves cutting-edge scientific methods and will shift the boundaries of can-do science in the laser laboratory at the University of Sydney and in Australia in general.Read moreRead less
The long-term impact of short-lived, fluorinated pollutants. In 1987, the Montreal Protocol has regulated the manufacture and use of compounds that deplete the ozone layer. Industry has innovated to produce new compounds that do not affect ozone levels, for use in refrigeration and other applications for modern society. We have discovered that the current generation of compounds called hydrofluoroolefins decompose in the atmosphere to produce the worst global warming gas known. We hypothesise th ....The long-term impact of short-lived, fluorinated pollutants. In 1987, the Montreal Protocol has regulated the manufacture and use of compounds that deplete the ozone layer. Industry has innovated to produce new compounds that do not affect ozone levels, for use in refrigeration and other applications for modern society. We have discovered that the current generation of compounds called hydrofluoroolefins decompose in the atmosphere to produce the worst global warming gas known. We hypothesise that other HFOs will also decay into global warming compounds. In this project we will determine the atmospheric consequences of modern refrigerants. Expected benefits include determination the best and worst compounds for environmental impact, and data to guide industry and legislators.Read moreRead less
The forgotten role of the ground state in atmospheric photochemistry. This project aims to provide novel solutions to two deficiencies in current atmospheric chemistry models. That is, molecular hydrogen (H2) is underestimated by up to a factor of two, and in polluted areas, HO2 concentrations are underestimated by up to a factor of ten. The project will investigate these solutions and assess their local and global atmospheric impact. By better characterising the atmospheric H2 budget, and the r ....The forgotten role of the ground state in atmospheric photochemistry. This project aims to provide novel solutions to two deficiencies in current atmospheric chemistry models. That is, molecular hydrogen (H2) is underestimated by up to a factor of two, and in polluted areas, HO2 concentrations are underestimated by up to a factor of ten. The project will investigate these solutions and assess their local and global atmospheric impact. By better characterising the atmospheric H2 budget, and the role of ground state reactions in general, the predictive ability of atmospheric models will be improved. This will allow, for example, the outcomes of any change in atmospheric H2 concentration, potentially as part of any future hydrogen economy, to be predicted before they occur. The benefits of this project are global: they allow us to better predict the impact of changes to atmospheric composition – before they occur, and local: Australia’s strengths in physical, theoretical and atmospheric chemistry are reinforced.Read moreRead less
Formation, photochemistry and fate of gas-phase peroxyl radicals. This project aims to understand how peroxyl radical reactions modulate the composition of air. The gas-phase chemical reactions of organic peroxyl radicals contribute to air quality in clean and polluted environments. However, experimental observations of these reaction intermediates and the complex mechanisms governing their formation and fate are limited. This project will use mass spectrometry and laser-based methods to interro ....Formation, photochemistry and fate of gas-phase peroxyl radicals. This project aims to understand how peroxyl radical reactions modulate the composition of air. The gas-phase chemical reactions of organic peroxyl radicals contribute to air quality in clean and polluted environments. However, experimental observations of these reaction intermediates and the complex mechanisms governing their formation and fate are limited. This project will use mass spectrometry and laser-based methods to interrogate the chemical and photochemical reactions of peroxyl radicals in the gas phase. This project expects to understand the composition and dynamics of the troposphere and inform strategies to improve air quality.Read moreRead less