Polynuclear Metal Complexes as Molecular Nanomagnets. Computer hard drives and other devices use tiny particles of magnetic materials to store digital information. Technological advances require an increase in the density of information storage and therefore even smaller magnetic particles. This project has the potential to synthesise materials where a single molecule could act as the smallest possible unit of magnetic memory. The future application of these materials may provide an increase ....Polynuclear Metal Complexes as Molecular Nanomagnets. Computer hard drives and other devices use tiny particles of magnetic materials to store digital information. Technological advances require an increase in the density of information storage and therefore even smaller magnetic particles. This project has the potential to synthesise materials where a single molecule could act as the smallest possible unit of magnetic memory. The future application of these materials may provide an increase of three orders of magnitude in information storage density. In addition, they may find employment in quantum computers, which can perform calculations exponentially faster than conventional computers.Read moreRead less
Novel organic materials for efficient low-cost solar cells. Finding sources of renewable energy is the greatest challenge faced by mankind in the coming decades. Solar energy has the potential to provide a large fraction of the world's energy needs. The successful development of a solar technology capable of large scale energy production will reduce our dependence on non-renewable energy sources, such as fossil fuels, leading to the reduction of greenhouse gas emissions and a sustainable envir ....Novel organic materials for efficient low-cost solar cells. Finding sources of renewable energy is the greatest challenge faced by mankind in the coming decades. Solar energy has the potential to provide a large fraction of the world's energy needs. The successful development of a solar technology capable of large scale energy production will reduce our dependence on non-renewable energy sources, such as fossil fuels, leading to the reduction of greenhouse gas emissions and a sustainable environment. The harnessing of solar energy involves a number of frontier technologies that will enhance Australia's strengths in research and innovation. There is also potential for the creation of a world-class industry in solar energy that has both economic and environmental benefits.Read moreRead less
A priori simulations of condensed-phase molecular spectroscopy. Molecular spectroscopy is used to probe phenomena in chemistry, biology, and nanoscience, but interpretation of the results often requires simulation of the spectra. While most applications involve condensed phases, until recently most accurate computations could only be performed for gas-phase molecules. Last year, a major advance has started to emerge, stemming from the production of analytical atomic forces for molecules in exc ....A priori simulations of condensed-phase molecular spectroscopy. Molecular spectroscopy is used to probe phenomena in chemistry, biology, and nanoscience, but interpretation of the results often requires simulation of the spectra. While most applications involve condensed phases, until recently most accurate computations could only be performed for gas-phase molecules. Last year, a major advance has started to emerge, stemming from the production of analytical atomic forces for molecules in excited states obtained using density-functional theory. We will adapt these methods to solve fundamental chemical problems involving the intermolecular interactions of molecules that have absorbed light- in particular, hydrogen-bonding interactions in water, studying, eg., chemical solvation and optical damage to DNA.Read moreRead less
Understanding and controlling ion-neutral interactions. Australia faces significant environmental and technological challenges including development of clean, sustainable energy sources and technologies that do not adversely affect the terrestrial atmosphere. This project seeks to facilitate a cleaner, greener future through investigations of fundamental chemical interactions responsible for hydrogen storage in solid media, and atmospheric processes responsible for the production and destruction ....Understanding and controlling ion-neutral interactions. Australia faces significant environmental and technological challenges including development of clean, sustainable energy sources and technologies that do not adversely affect the terrestrial atmosphere. This project seeks to facilitate a cleaner, greener future through investigations of fundamental chemical interactions responsible for hydrogen storage in solid media, and atmospheric processes responsible for the production and destruction of ozone. In both cases, the key interactions between ions and neutral molecules will be elucidated through high-resolution laser studies. Ensuing experimental data will play a crucial role in controlling and predicting ion-neutral interactions in technological and environmental contexts.Read moreRead less
Towards a Microscopic Understanding of Anion Solvation. Atomic and molecular anions are ubiquitous components of oceans, rivers, lakes, and the atmosphere, and serve as key participants in natural and industrial chemical processes. In most situations ions are surrounded by a structured sheath of neutral solvent molecules which profoundly affects their physical and chemical properties. Currently, interactions between anions and solvent molecules are poorly understood. In this project we will use ....Towards a Microscopic Understanding of Anion Solvation. Atomic and molecular anions are ubiquitous components of oceans, rivers, lakes, and the atmosphere, and serve as key participants in natural and industrial chemical processes. In most situations ions are surrounded by a structured sheath of neutral solvent molecules which profoundly affects their physical and chemical properties. Currently, interactions between anions and solvent molecules are poorly understood. In this project we will use lasers to probe clusters consisting of just a few molecules attached to an anion, generating information that will enhance our ability to predict and control chemical processes involved in drug design, salination, atmospheric chemistry, and chemical waste remediation.Read moreRead less
Material Properties of Nanocrystals. The mechanical characteristics of nanocrystals determine the viability of many novel applications and devices emerging from the field of nanotechnology. Despite their fundamental importance, the mechanical properties of these nanocrystals is only vaguely understood, because their size has prohibited their measurement. In this project, we shall investigate the mechanical properties of these materials for the first time using a combination of theoretical modell ....Material Properties of Nanocrystals. The mechanical characteristics of nanocrystals determine the viability of many novel applications and devices emerging from the field of nanotechnology. Despite their fundamental importance, the mechanical properties of these nanocrystals is only vaguely understood, because their size has prohibited their measurement. In this project, we shall investigate the mechanical properties of these materials for the first time using a combination of theoretical modelling, atomic force microscopy, and a new form of spectroscopy that allows the actual deformation of nanocrystals to be measured. The fundamental scientific knowledge gained is expected to impact on the development of current and future nanodevices.Read moreRead less
The fate of dietary selenium in vivo; a direct approach to linking chemical form with biological activity. Dietary selenium supplementation has great potential as a preventative treatment for a range of human health conditions, including cancer, that widely affect the Australian population. However, the adverse effects of such treatments are not fully recognised. This project will increase our knowledge of how selenium compounds are stored and utilised in the body and relate the information to c ....The fate of dietary selenium in vivo; a direct approach to linking chemical form with biological activity. Dietary selenium supplementation has great potential as a preventative treatment for a range of human health conditions, including cancer, that widely affect the Australian population. However, the adverse effects of such treatments are not fully recognised. This project will increase our knowledge of how selenium compounds are stored and utilised in the body and relate the information to clinical observations regarding dietary intake of selenium and other compounds. The new understanding generated will delineate the conditions for safe intake, so that the beneficial effects associated with selenium supplementation may be harnessed more effectively.Read moreRead less
Lighting up the charged brigade: laser spectroscopy of protonated and metal-containing complexes. Increasingly, the design of new pharmaceuticals uses computer modeling to account for the shapes of molecules and how they interact with their surroundings. The strongest forces between molecular components are those that involve charged chemical species known as ions. In this project, we will develop advanced laser-based techniques to study in unprecedented detail how molecules respond to the prese ....Lighting up the charged brigade: laser spectroscopy of protonated and metal-containing complexes. Increasingly, the design of new pharmaceuticals uses computer modeling to account for the shapes of molecules and how they interact with their surroundings. The strongest forces between molecular components are those that involve charged chemical species known as ions. In this project, we will develop advanced laser-based techniques to study in unprecedented detail how molecules respond to the presence of nearby charge, or to acquiring charge themselves. Understanding the nature of these attractions, and the structural changes that they induce eventually results in more accurate computer models. This has relevance to fields that include the architecture of proteins, recognition of signaling molecules in the brain, and drug development.Read moreRead less
Nanoprobe and Microprobe Spectroscopic Techniques in Drug Design, Probing Mechanisms of Diseases, and Bioinorganic Chemistry. Nanoprobe and microprobe spectroscopic techniques offer unparalleled opportunities to probe the structures and distributions of drugs, carcinogens, and biomolecules in cultured cells and tissues. Such techniques represent new frontiers in understanding in vivo metabolic processes at the molecular level, as well as providing unprecedented information on the metabolism and ....Nanoprobe and Microprobe Spectroscopic Techniques in Drug Design, Probing Mechanisms of Diseases, and Bioinorganic Chemistry. Nanoprobe and microprobe spectroscopic techniques offer unparalleled opportunities to probe the structures and distributions of drugs, carcinogens, and biomolecules in cultured cells and tissues. Such techniques represent new frontiers in understanding in vivo metabolic processes at the molecular level, as well as providing unprecedented information on the metabolism and distributions of pharmaceuticals and toxins involved in the treatment and cause of diseases, such as cancer. This project is aimed at pushing the boundaries of nanoprobe and microprobe (X-ray absorption, SRIXE, PIXE, Raman and two-photon fluorescence) techniques for such applications.Read moreRead less
Molecules as probes of the interstellar medium. It is one of the greatest challenges in Nature is to remotely identify what is in space. Interstellar molecules are identified by their spectra, but many features in these spectra are unknown, implying that there are many more molecules in space than we know about. With a stronger understanding of space chemistry, we could predict what should be there and verify it in the lab. Conversely, identification of these features will provide the tools to u ....Molecules as probes of the interstellar medium. It is one of the greatest challenges in Nature is to remotely identify what is in space. Interstellar molecules are identified by their spectra, but many features in these spectra are unknown, implying that there are many more molecules in space than we know about. With a stronger understanding of space chemistry, we could predict what should be there and verify it in the lab. Conversely, identification of these features will provide the tools to understand interstellar chemistry. In this project we combine skills in spectroscopy and astronomy to make these molecules in the laboratory, measure their spectra and thereby identify unknown molecules in space.Read moreRead less