Reaction transition states of halide-cluster complexes via velocity-map imaging of photoelectrons. This study will investigate the transition point between the reactants and products of a chemical reaction using a novel photoelectron imaging technique, velocity-map imaging. It is this region of chemical reactions that is the least understood. By combining the use of weakly bound negatively charged clusters and laser photodetachment of these clusters, information can be gleaned about these transi ....Reaction transition states of halide-cluster complexes via velocity-map imaging of photoelectrons. This study will investigate the transition point between the reactants and products of a chemical reaction using a novel photoelectron imaging technique, velocity-map imaging. It is this region of chemical reactions that is the least understood. By combining the use of weakly bound negatively charged clusters and laser photodetachment of these clusters, information can be gleaned about these transition states. The technique will be applied to an important class of halide-cluster complexes that form a set of prototypical reactions. These species also play important roles ranging from ozone depletion through to industrial chemistry.Read moreRead less
Roaming around the Transition State: A New Mechanism of Chemical Reactions. Gas-phase reaction mechanisms are at the core of some of the most important problems facing Australia at present: atmospheric models for CO2 are central to climate change; models of isotope exchange are essential to learn about past climates from Antarctic ice cores; and models of combustion are used to optimise energy efficiency. The mechanisms used in these models rely on accurate chemistry. A newly discovered chemica ....Roaming around the Transition State: A New Mechanism of Chemical Reactions. Gas-phase reaction mechanisms are at the core of some of the most important problems facing Australia at present: atmospheric models for CO2 are central to climate change; models of isotope exchange are essential to learn about past climates from Antarctic ice cores; and models of combustion are used to optimise energy efficiency. The mechanisms used in these models rely on accurate chemistry. A newly discovered chemical mechanism has the potential to change many of the reactions that we currently use in these chemical models. This project will determine how important this new mechanism is, and what its impact is on gas-phase reaction models.Read moreRead less
Electron correlation models using morph operators and hybrid intracules. A new solution to the central problem in quantum chemistry will allow researchers in the chemical, pharmaceutical and materials sciences to predict the chemical behaviour of moderately large molecular systems with an accuracy and efficiency that has not previously been possible. The software that will result will enable cost and time savings in the design of advanced materials in the medical and agricultural contexts.
Superfluid helium nanodroplet spectroscopy. Molecules trapped in a helium nanodroplet find themselves in an ultracold liquid environment from which they cannot escape. As such, the molecules are forced to interact and this is studied at a resolution that is unrivaled in condensed phase spectroscopy. This technique will be used to create new materials and study the dynamics behind a large range of chemical processes. The results are expected to lead to a greater understanding of condensed phase c ....Superfluid helium nanodroplet spectroscopy. Molecules trapped in a helium nanodroplet find themselves in an ultracold liquid environment from which they cannot escape. As such, the molecules are forced to interact and this is studied at a resolution that is unrivaled in condensed phase spectroscopy. This technique will be used to create new materials and study the dynamics behind a large range of chemical processes. The results are expected to lead to a greater understanding of condensed phase chemistry and chemical reactions in general.Read moreRead less
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.
Special Research Initiatives - Grant ID: SR0354591
Funder
Australian Research Council
Funding Amount
$10,000.00
Summary
New Techniques using X-rays, Electrons and Quantum Optics in Physics & Chemistry and key developments for biomedicine & industry. This network will develop theoretical, experimental and computational techniques addressing key issues in physics, chemistry, biology and geosciences. Scope will be wide-ranging and inclusive. We anticipate making major developments in the design and understanding of absolute X-ray Absorption Fine Structure, X-ray, Neutron and Electron Diffraction, Electron Density Ma ....New Techniques using X-rays, Electrons and Quantum Optics in Physics & Chemistry and key developments for biomedicine & industry. This network will develop theoretical, experimental and computational techniques addressing key issues in physics, chemistry, biology and geosciences. Scope will be wide-ranging and inclusive. We anticipate making major developments in the design and understanding of absolute X-ray Absorption Fine Structure, X-ray, Neutron and Electron Diffraction, Electron Density Mapping, Molecular and Cluster computations and Powder Diffraction for fundamental research, biomedical and industrial applications. These breakthroughs will be invaluable for the development of Australia's major research infrastructure (the synchrotron, electron microscopes, and the research reactor). This will develop Australian expertise and collaboration at the cutting edge of a variety of interdisciplinary fields.Read moreRead less
Sulfuric acid formation from atmospheric sulfur trioxide and disulfur oxide: is one water molecule enough? Sulfate aerosols significantly affect the amount of solar radiation reaching the Earth, influencing the nett energy balance, and mitigating the greenhouse effect. A major source of these aerosols is sulfuric acid. Understanding the sources and formation rates of sulfuric acid production is of considerable importance for global climate models. This project will provide significant insight in ....Sulfuric acid formation from atmospheric sulfur trioxide and disulfur oxide: is one water molecule enough? Sulfate aerosols significantly affect the amount of solar radiation reaching the Earth, influencing the nett energy balance, and mitigating the greenhouse effect. A major source of these aerosols is sulfuric acid. Understanding the sources and formation rates of sulfuric acid production is of considerable importance for global climate models. This project will provide significant insight into the sulfur oxides and their water clusters, relevant to sulfuric acid formation, providing data applicable to the modelling of planetary atmospheres, especially timely for the Venus Express mission, and more importantly, the building of comprehensive climate models.Read moreRead less
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
The Role of Thermodynamics and Kinetics in Self-Assembly of Metallic Nanocrystals. Global interest in metallic nano-crystals has recently increased dramatically as the realized applications of these structures begin to span the fields of nanotechnology and nano-biotechnology. In all these applications, control of the size and morphology of the nano-particles is critically important, as these characteristics determine their electronic, optical and catalytic properties. This requires an understa ....The Role of Thermodynamics and Kinetics in Self-Assembly of Metallic Nanocrystals. Global interest in metallic nano-crystals has recently increased dramatically as the realized applications of these structures begin to span the fields of nanotechnology and nano-biotechnology. In all these applications, control of the size and morphology of the nano-particles is critically important, as these characteristics determine their electronic, optical and catalytic properties. This requires an understanding of the underlying thermodynamic and kinetic driving forces, which govern nano-particle nucleation, growth and stability. This project will investigate the role of surface thermodynamics and growth kinetics in the nucleation, growth and stability of metallic nano-crystals in order to understand how to control their synthesis.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