Studying Molecular Dynamics with Electron and Laser Interactions. We plan to use state-of-the-art experimental techniques and methodologies to probe the dynamics of molecular processes stimulated by either laser or electron interactions. These processes are fundamental to our understanding of both natural phenomena and many devices used in the technology of today and of the future. As a result of this study our insight into the mechanisms underpining these phenomena and devices will be enhanced.
Linkage Infrastructure, Equipment And Facilities - Grant ID: LE0219618
Funder
Australian Research Council
Funding Amount
$215,000.00
Summary
National Facility for Advanced Molecular Orbital Imaging. We will develop a new two-dimensional multiparameter high-resolution electron momentum spectroscopy (EMS) spectrometer that incorporates multiparameter data acquisition and reduction techniques and combine it with a new time of flight (TOF) ion-analyser in order to perform the first high-resolution EMS with oriented target experiments.
In conjunction with theoretical calculations, the results from these experiments will provide the most ....National Facility for Advanced Molecular Orbital Imaging. We will develop a new two-dimensional multiparameter high-resolution electron momentum spectroscopy (EMS) spectrometer that incorporates multiparameter data acquisition and reduction techniques and combine it with a new time of flight (TOF) ion-analyser in order to perform the first high-resolution EMS with oriented target experiments.
In conjunction with theoretical calculations, the results from these experiments will provide the most advanced evaluation for molecular orbital imaging quality for the chemically significant targets we wish to study. This in turn will lead to the determination of more accurate physico-chemical information, including structure and bonding information, for these targets.Read moreRead less
Cross sections for electron scattering from molecules and radicals of technological and environmental relevance. We will use two state of the art crossed beam spectrometers to measure absolute differential and integral cross sections for low energy electron scattering from molecules and their molecular fragments (radicals). The species to be considered are those of significant industrial (e.g. C2F4, C4F8 and CF2) and environmental (e.g. CO2 and H2O) interest, with the cross sections we will mea ....Cross sections for electron scattering from molecules and radicals of technological and environmental relevance. We will use two state of the art crossed beam spectrometers to measure absolute differential and integral cross sections for low energy electron scattering from molecules and their molecular fragments (radicals). The species to be considered are those of significant industrial (e.g. C2F4, C4F8 and CF2) and environmental (e.g. CO2 and H2O) interest, with the cross sections we will measure being crucial to our modelling both the processes involved in plasma enhanced chemical vapour desposition of semiconductor devices and the spectral emission characteristics of planetary atmospheres. The modelling will be conducted self-consistently with our enhanced statistical equilibrium simulation code, which is unique to Australia.Read moreRead less
Inter- and Intra-molecular interactions probed by electron momentum spectroscopy. High-resolution electron momentum spectroscopy (EMS) will be used to study bonding (intra-molecular interactions) in complex oriented organic species. This will allow us, in conjunction with density functional theory calculations, to evaluate the basis sets and exchange-correlation (XC) functionals employed in those calculations, thereby potentially enabling quantum chemists to build more physically accurate XC-fu ....Inter- and Intra-molecular interactions probed by electron momentum spectroscopy. High-resolution electron momentum spectroscopy (EMS) will be used to study bonding (intra-molecular interactions) in complex oriented organic species. This will allow us, in conjunction with density functional theory calculations, to evaluate the basis sets and exchange-correlation (XC) functionals employed in those calculations, thereby potentially enabling quantum chemists to build more physically accurate XC-functionals and basis sets. As chemistry largely occurs in solution, the future will increasingly focus on solvated species. Consequently, we are also initiating an EMS study of the electronic wavefunctions of solvated species with our recently developed "clusters" EMS spectrometer. This will provide the first data on the electronic wavefunctions involved in inter-molecular interactions.Read moreRead less
Environmental and Technological Applications of Electron-Driven Processes. We plan to use state-of-the-art experimental techniques and methodologies for the measurement of collision cross sections and reaction rates for low energy electron-driven process in molecules and molecular radicals. These processes are fundamental to our understanding of our environment and many devices used in the technology of today and of the future. In particular we will provide accurate cross sections for NOx and SO ....Environmental and Technological Applications of Electron-Driven Processes. We plan to use state-of-the-art experimental techniques and methodologies for the measurement of collision cross sections and reaction rates for low energy electron-driven process in molecules and molecular radicals. These processes are fundamental to our understanding of our environment and many devices used in the technology of today and of the future. In particular we will provide accurate cross sections for NOx and SOx pollutants and H2O, as well for molecules such as C4F8, and its radicals such as CF2, which are used extensively in plasma processing technologies.Read moreRead less
Energetics, spectroscopy and dissociation dynamics of bimolecular complexes of atmospheric importance. The Global Warming debate illustrates the importance of having a firm scientific underpinning to calculations of the atmosphere. It is important in calculations of atmospheric chemistry to have all pathways and species properly accounted for. It has recently emerged that intermolecular complexes may play a role in atmospheric chemistry. Of these, those involving water are very important beca ....Energetics, spectroscopy and dissociation dynamics of bimolecular complexes of atmospheric importance. The Global Warming debate illustrates the importance of having a firm scientific underpinning to calculations of the atmosphere. It is important in calculations of atmospheric chemistry to have all pathways and species properly accounted for. It has recently emerged that intermolecular complexes may play a role in atmospheric chemistry. Of these, those involving water are very important because of water's ability to form strong hydrogen bonds. This project will provide key experimental data on one of the most important complexes, the water-hydroxyl radical complex.Read moreRead less
The recovery of Cu from chalcopyrite-pyrite containing concentrates, ores and tailings. Chalcopyrite, a major source of Cu, is often associated in ores with the valueless mineral pyrite. The development of more efficient methods for the retrieval of the Cu is of considerable economic importance to Australian minerals processing companies. We aim to develop methodologies allowing the more efficient :
- separation of chalcopyrite and pyrite;
- leaching of Cu from ores and tailing in a heap leach ....The recovery of Cu from chalcopyrite-pyrite containing concentrates, ores and tailings. Chalcopyrite, a major source of Cu, is often associated in ores with the valueless mineral pyrite. The development of more efficient methods for the retrieval of the Cu is of considerable economic importance to Australian minerals processing companies. We aim to develop methodologies allowing the more efficient :
- separation of chalcopyrite and pyrite;
- leaching of Cu from ores and tailing in a heap leach environment and
- leaching of Cu in a concentrated chalcopyrite-pyrite reactor environment.
These aims will be achieved via an integrated surface-solution speciation approach allowing the manipulation of surface properties.
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Conformationally constrained and immobilized beta-peptides. The research builds on world-class expertise in Australia (particularly Adelaide) in proteomics to provide a basis for fundamental advances in chemistry that will underpin the development of new pharmaceuticals and smart materials, and future technologies and industries. We create a mix of research at the interface of disciplines within academia and industry, with linkages to the very best international researchers and centres. A new cr ....Conformationally constrained and immobilized beta-peptides. The research builds on world-class expertise in Australia (particularly Adelaide) in proteomics to provide a basis for fundamental advances in chemistry that will underpin the development of new pharmaceuticals and smart materials, and future technologies and industries. We create a mix of research at the interface of disciplines within academia and industry, with linkages to the very best international researchers and centres. A new critical mass of expertise in a number of advancing areas of chemistry, biology, and materials science will be introduced to Australia. This will enhance existing strengths and opportunities in proteomics and biomedical research for the treatment of disease.Read moreRead less
Preparation and properties of oligo- and polycyclophanes. Materials with advanced optical and electronic properties. This project aims to prepare a novel class of organic and organometallic material that has both theoretical and practical applications. Nanotechnology requires unique arrangements of atoms that can give rise to enhanced macroscopic properties and we have embarked on a project that will provide new oligomers and polymers for the construction of the next generation of optical and el ....Preparation and properties of oligo- and polycyclophanes. Materials with advanced optical and electronic properties. This project aims to prepare a novel class of organic and organometallic material that has both theoretical and practical applications. Nanotechnology requires unique arrangements of atoms that can give rise to enhanced macroscopic properties and we have embarked on a project that will provide new oligomers and polymers for the construction of the next generation of optical and electronic devices.Read moreRead less
Electron transfer in proteins, a study of mechanism and function. Our research will probe the mechanisms by which nature's living systems build, maintain, and reproduce. We present an ability to understand these processes at a detailed molecular level using science and technology at the forefront of multidisciplinary research. The research will provide a foundation for new smart materials, technologies and future industries, and also ways forward for future basic scientific research and endeavo ....Electron transfer in proteins, a study of mechanism and function. Our research will probe the mechanisms by which nature's living systems build, maintain, and reproduce. We present an ability to understand these processes at a detailed molecular level using science and technology at the forefront of multidisciplinary research. The research will provide a foundation for new smart materials, technologies and future industries, and also ways forward for future basic scientific research and endeavor. All this is done with the best international researchers and capabilities within a local environment that will help to train the next generation of Australian scientists.Read moreRead less