A reliable physical model of molecular motion in crystals. The scientific benefits would flow, in the first instance, to the large national and international communities of scientists whose research makes use of the results of X-ray diffraction experiments. Applications of the research to amino acids and peptides will benefit investigations into the structure and molecular dynamics of biological systems, including proteins and enzymes. Studies of charge densities in crystals will obtain a standa ....A reliable physical model of molecular motion in crystals. The scientific benefits would flow, in the first instance, to the large national and international communities of scientists whose research makes use of the results of X-ray diffraction experiments. Applications of the research to amino acids and peptides will benefit investigations into the structure and molecular dynamics of biological systems, including proteins and enzymes. Studies of charge densities in crystals will obtain a standard tool for improved modelling of molecular motion, resulting in physically more realistic charge density functions, and hence greater insight into the relationship between properties of crystals and their constituent molecules.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
Ionic Liquids and Solids - New Designs, Insights and Applications. Ionic Materials in the form of liquid salts and plastic crystals are of interest in a wide range of applications including environmentally benign synthesis of chemicals and high stability electrolytes for batteries, capacitors and other devices. These materials represent some of the most stable chemicals known, making them attractive for any application where complete stability and recycling are issues. Building on our recent wor ....Ionic Liquids and Solids - New Designs, Insights and Applications. Ionic Materials in the form of liquid salts and plastic crystals are of interest in a wide range of applications including environmentally benign synthesis of chemicals and high stability electrolytes for batteries, capacitors and other devices. These materials represent some of the most stable chemicals known, making them attractive for any application where complete stability and recycling are issues. Building on our recent work, this project will design, prepare and characterize novel materials of this type for a number of target applications. Collaborators in Europe and USA will be involved in the analysis and testing of the materials.Read moreRead less
Thin Films of Oxide Ceramics. Aluminium oxide films are used extensively in the Australian industries of Protective & Decorative Coatings (examples include door-knobs and cutting-tools). The industry will be offered a remarkably simple process for preparation of high quality films. In the microelectronic industry, the uses of aluminium oxide films as a dielectric alternative to silicon dioxide has just started to emerge world - wide and this new process would make a dramatic impact with commerci ....Thin Films of Oxide Ceramics. Aluminium oxide films are used extensively in the Australian industries of Protective & Decorative Coatings (examples include door-knobs and cutting-tools). The industry will be offered a remarkably simple process for preparation of high quality films. In the microelectronic industry, the uses of aluminium oxide films as a dielectric alternative to silicon dioxide has just started to emerge world - wide and this new process would make a dramatic impact with commercial benefits for Australia. Read moreRead less
Low viscosity, high ionic conductivity ionic liquids for lithium metal batteries. Current consumer electronic devices rely on lithium-ion batteries to provide a high energy density power source. There are growing safety concerns about the electrolytes in these devices after recent incidents involving fires in mobile phones. Recent advances in ionic liquids (ILs) have seen the development of new electrolytes for such devices, with enhanced physical properties that offer major safety advantages. H ....Low viscosity, high ionic conductivity ionic liquids for lithium metal batteries. Current consumer electronic devices rely on lithium-ion batteries to provide a high energy density power source. There are growing safety concerns about the electrolytes in these devices after recent incidents involving fires in mobile phones. Recent advances in ionic liquids (ILs) have seen the development of new electrolytes for such devices, with enhanced physical properties that offer major safety advantages. However, the viscosity of these materials currently limit their capabilities. New IL materials to be developed in this project will pave the way for the development of safer devices and new sustainable energy industries in Australia.Read moreRead less
Linkage Infrastructure, Equipment And Facilities - Grant ID: LE100100135
Funder
Australian Research Council
Funding Amount
$700,000.00
Summary
Federated single crystal X-ray structural analysis facility. X-ray crystallography is the most widely applied method for the determination of three-dimensional molecular structures. These structures range in size from small systems such as materials and pharmaceuticals through to large biological structures such as proteins. This application will provide a multidisciplinary facility covering the structural characterisation needs of chemistry, pharmacy, biology, and medicine. This will position l ....Federated single crystal X-ray structural analysis facility. X-ray crystallography is the most widely applied method for the determination of three-dimensional molecular structures. These structures range in size from small systems such as materials and pharmaceuticals through to large biological structures such as proteins. This application will provide a multidisciplinary facility covering the structural characterisation needs of chemistry, pharmacy, biology, and medicine. This will position local universities for key scientific breakthroughs that benefit the Australian community by providing improved healthcare technologies, and processes. Furthermore, access to this world-class facility will provide state-of-the-art training for undergraduate, postgraduate and postdoctoral researchers.Read moreRead less
Electronic and Optical Properties of Doped Titanium Dioxide. Titanium dioxide, is widely used as a white pigment, owing to its high refractive index, second, only after diamond. Yellowing of rutile pigment particles, observed on prolonged exposure to sunlight, is a serious problem that pigment manufacturers would like to overcome. It is proposed that aluminium-doping of rutile limits this discolouration by altering the electronic structure of the rutile particles. This project seeks to identify ....Electronic and Optical Properties of Doped Titanium Dioxide. Titanium dioxide, is widely used as a white pigment, owing to its high refractive index, second, only after diamond. Yellowing of rutile pigment particles, observed on prolonged exposure to sunlight, is a serious problem that pigment manufacturers would like to overcome. It is proposed that aluminium-doping of rutile limits this discolouration by altering the electronic structure of the rutile particles. This project seeks to identify the specific electronic cause of the yellowing process, the nature of the Al defect,it's effect on the electronic structure of rutile, and the electronic perturbations that may occur when other dopants are used.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
Linkage Infrastructure, Equipment And Facilities - Grant ID: LE0775676
Funder
Australian Research Council
Funding Amount
$290,000.00
Summary
An X-ray Diffraction Facility for Molecular Structure Determination. Characterisation of new chemical compounds demands proof of molecular structure. Whether for the identification of a new drug candidate, a material with novel properties or in the exploration of previously unknown types of compounds, X-ray crystallography is the definitive technique for this purpose. This proposal is for an X-ray diffractometer that will significantly enhance the capabilities of all synthetic and natural produc ....An X-ray Diffraction Facility for Molecular Structure Determination. Characterisation of new chemical compounds demands proof of molecular structure. Whether for the identification of a new drug candidate, a material with novel properties or in the exploration of previously unknown types of compounds, X-ray crystallography is the definitive technique for this purpose. This proposal is for an X-ray diffractometer that will significantly enhance the capabilities of all synthetic and natural products chemistry research programs undertaken at the Universities of Queensland and Newcastle, all currently in receipt of ARC funding. This research is aligned with the ARC National Research Priorities, of Promoting and Maintaining Good Health and Frontier Technologies for Building and Transforming Australian Industries.Read moreRead less