New Strategies for Modelling Polyoxometalates. Polyoxometalates are a versatile class of genuine nanomaterials with remarkable chemical and physical properties and dimensions ranging from tens to tens of thousands of atoms. Designing functional materials which exploit their enormous potential is limited by practical difficulties in their structural characterization and restrictions on our ability to model their behaviour. In this project, we will develop a new strategy for computer modelling of ....New Strategies for Modelling Polyoxometalates. Polyoxometalates are a versatile class of genuine nanomaterials with remarkable chemical and physical properties and dimensions ranging from tens to tens of thousands of atoms. Designing functional materials which exploit their enormous potential is limited by practical difficulties in their structural characterization and restrictions on our ability to model their behaviour. In this project, we will develop a new strategy for computer modelling of polyoxometalates based on the classical molecular mechanics approach and high-level techniques. This novel line of attack will be exploited in the characterization of large and highly substituted derivatives which are key to developing functional materials.Read moreRead less
New silane anti-corrosion coatings for steel surfaces. Steel products are a major export for Australia. Orrcon is one of Australia's largest suppliers of steel pipe and tubing. This study of how to stop steel from corroding will produce new breakthroughs in understanding silane chemistry, which is safer, cheaper and more effective in reducing rust, than what is being used today. This new science will benefit Australia's research into corrosion and help us to be more competitive in the export of ....New silane anti-corrosion coatings for steel surfaces. Steel products are a major export for Australia. Orrcon is one of Australia's largest suppliers of steel pipe and tubing. This study of how to stop steel from corroding will produce new breakthroughs in understanding silane chemistry, which is safer, cheaper and more effective in reducing rust, than what is being used today. This new science will benefit Australia's research into corrosion and help us to be more competitive in the export of steel. Our proof of concept studies on the corrosion resistance of new silanes on aerospace aluminium alloys has helped Australian products enter markets where chromium(VI) is now banned. Silicon chemistry is also little researched in Australia and this project will train four new researchers in this field.Read moreRead less
Coordination Polymers and Oligomers and Labyrinthine Molecular Solids as Materials for the Sorption of Gases/Vapours, with Emphasis on Hydrogen. The work will afford new types of gas sorbing solids, which may find practical uses in the separation and storage of gases and in catalysis. Hydrogen is almost the perfect, pollution-free fuel; Australia's abundant sunlight potentially makes it cheap and readily available here. The lack of a safe and economic means of storing hydrogen at easily achiev ....Coordination Polymers and Oligomers and Labyrinthine Molecular Solids as Materials for the Sorption of Gases/Vapours, with Emphasis on Hydrogen. The work will afford new types of gas sorbing solids, which may find practical uses in the separation and storage of gases and in catalysis. Hydrogen is almost the perfect, pollution-free fuel; Australia's abundant sunlight potentially makes it cheap and readily available here. The lack of a safe and economic means of storing hydrogen at easily achieved and maintained pressures remains the chief obstacle to the viability of numerous hydrogen-powered devices of the future such as cell phones, laptop computers, cordless tools and vehicles. The work proposed will contribute to the development of safe, efficient, and portable hydrogen storage systems.Read moreRead less
Anion Binding and Sensing With Self-Assembled Metallo-Supramolecular Assemblies. Anions are of particular significance in several areas relating to the day-to-day lives of Australians; for example as contaminants in waterways and nuclear waste streams, as indicators of chemical weapons, and as antagonists in biological systems. The proposed research programme will investigate a relatively unexplored approach to binding and sensing anions. This will further research in the area of supramolecular ....Anion Binding and Sensing With Self-Assembled Metallo-Supramolecular Assemblies. Anions are of particular significance in several areas relating to the day-to-day lives of Australians; for example as contaminants in waterways and nuclear waste streams, as indicators of chemical weapons, and as antagonists in biological systems. The proposed research programme will investigate a relatively unexplored approach to binding and sensing anions. This will further research in the area of supramolecular chemistry, providing additional research expertise in this rapidly progressing area of the chemical sciences. In terms of Breakthrough science the targeted assemblies will shed further light on self-assembly processes involving ligands with different domains, placing Australian research at the forefront of such investigations.Read moreRead less
Internally decorated discrete Metallo-supramolecular Assemblies and infinite Metal-Organic Frameworks as molecular containers. In the macroscopic world, containers are used to hold, provide physical protection, or create a modified environment for their contents. This project will result in the synthesis of novel molecular container materials that provide decorated internal surfaces capable of selectively binding chemical species. In addition to the breakthrough scientific benefits of establish ....Internally decorated discrete Metallo-supramolecular Assemblies and infinite Metal-Organic Frameworks as molecular containers. In the macroscopic world, containers are used to hold, provide physical protection, or create a modified environment for their contents. This project will result in the synthesis of novel molecular container materials that provide decorated internal surfaces capable of selectively binding chemical species. In addition to the breakthrough scientific benefits of establishing the fundamentals of these systems, the binding of chemicals, which are environmental contaminants, will provide the grounding for applications that will contribute to the national priority of 'Frontier technologies'. Furthermore, this research will lead to the training of the next generation of Australian scientists by quality international researchers.Read moreRead less
Light driven supramolecular reactors. A major problem facing synthetic chemistry is how to control chemical reactivity using benign techniques. The aim of this project is to form supramolecular capsules that can bind guest molecules and use visible light to drive chemical reactions inside these cages. This project aims to develop the first examples of molecular cages that are able to catalyse photoredox processes. These enantiopure, self-assembled cages will be based on ruthenium(II) complexes w ....Light driven supramolecular reactors. A major problem facing synthetic chemistry is how to control chemical reactivity using benign techniques. The aim of this project is to form supramolecular capsules that can bind guest molecules and use visible light to drive chemical reactions inside these cages. This project aims to develop the first examples of molecular cages that are able to catalyse photoredox processes. These enantiopure, self-assembled cages will be based on ruthenium(II) complexes with established photophysical properties. The expected outcomes will include the first proof-of-principle examples of controlled photoredox reactions, opening the door for the development of enantioselective molecular photoreactors.Read moreRead less
Metal complexes for sustainable light-driven synthesis. The aim of this project is to use cheap, abundant transition metal ions and visible light to enable challenging synthetic chemical reactions. The significant problems addressed are that most synthetic reactions using visible light currently require expensive precious metals, and fundamental reaction pathways used by Nature remain inaccessible. Both of these problems limit the scope of synthetic applications. The outcomes will be new knowled ....Metal complexes for sustainable light-driven synthesis. The aim of this project is to use cheap, abundant transition metal ions and visible light to enable challenging synthetic chemical reactions. The significant problems addressed are that most synthetic reactions using visible light currently require expensive precious metals, and fundamental reaction pathways used by Nature remain inaccessible. Both of these problems limit the scope of synthetic applications. The outcomes will be new knowledge and sustainable technologies that can better harness visible light for useful synthetic chemistry applications. The benefits will be more efficient and cost-effective routes to valuable molecules ubiquitous in everyday life.Read moreRead less
Novel Coatings For Steel. The aim of this project is to design coatings for steel that have high flexibility and high resistance to scatching and hardness. This will be achieved by the introduction of liquid crystalline phases in the coatings. The outcome will be a new generation of steel coatings with novel properties
Metal-organic Framework (MOF) Superstructure Catalysts. The development of new catalyst technology is crucial to uncovering energy-efficient strategies for valorising chemicals. Although the designable pore networks of Metal-organic Frameworks (MOFs) provide a highly favourable environment for heterogeneous catalysis, most stable MOF materials are microporous - possessing pores less than 2 nm - which hinders mass transport. This research will develop novel, hierarchically porous MOF superstruct ....Metal-organic Framework (MOF) Superstructure Catalysts. The development of new catalyst technology is crucial to uncovering energy-efficient strategies for valorising chemicals. Although the designable pore networks of Metal-organic Frameworks (MOFs) provide a highly favourable environment for heterogeneous catalysis, most stable MOF materials are microporous - possessing pores less than 2 nm - which hinders mass transport. This research will develop novel, hierarchically porous MOF superstructures that will overcome these limitations and serve as platform materials for the development of new catalysts. This research will address future challenges in industrial catalysis and realise an important step towards the commercial application of MOF catalysis for valoriation of chemical feedstocks. Read moreRead less
Examining small molecule activation in metal-organic framework pores. This project aims to uncover important chemical knowledge regarding small molecule activation by reactive metal species that are site-isolated and stabilised within the pores of metal-organic frameworks. These insights will lead to the development of new materials that are able to activate small molecules, such as carbon dioxide and methane, and facilitate their conversion to commodity chemicals and fuels. Uncovering energy-ef ....Examining small molecule activation in metal-organic framework pores. This project aims to uncover important chemical knowledge regarding small molecule activation by reactive metal species that are site-isolated and stabilised within the pores of metal-organic frameworks. These insights will lead to the development of new materials that are able to activate small molecules, such as carbon dioxide and methane, and facilitate their conversion to commodity chemicals and fuels. Uncovering energy-efficient strategies for valorising abundant small molecules is a key challenge for future energy sustainability. The outcomes of this project will inform the design of the next-generation catalysts for conversion of methane to methanol, a potential fuel, and facilitate the transition to a clean energy future.Read moreRead less