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
Molecular Group 2 Metal(I) complexes: from chemical landmarks to versatile reagents. This project aims to systematically expand an internationally acclaimed pilot study which led to the initiation of a completely new and breakthrough field of chemistry, namely that of Group 2 metal-metal bonded complexes. The high reactivity of these systems will lead to them finding wide ranging applications in synthesis and materials chemistry.
Discovery Early Career Researcher Award - Grant ID: DE130100615
Funder
Australian Research Council
Funding Amount
$374,607.00
Summary
Rational design and fabrication of polyoxometalate based nanodevices. Currently switches, memories and sensors are constructed through physical manipulation of their various components. Using single molecules we plan to develop self-organising systems, resulting in self-constructing devices. This will enable device miniaturisation to the smallest of length scales, dramatically influencing modern day electronics.
Synthesis of functionalised metal oxide beads with hierarchical pores for radionuclide and metal sequestration. The central aim of this project is to fabricate nanostructured materials to address the worldwide issue of nuclear waste. These novel materials, with tailored porosity and surface functionality, will decrease both radioactive waste volume and the potential for environmental risk. The collaboration between the Caruso group at the University of Melbourne and the Luca group at ANSTO will ....Synthesis of functionalised metal oxide beads with hierarchical pores for radionuclide and metal sequestration. The central aim of this project is to fabricate nanostructured materials to address the worldwide issue of nuclear waste. These novel materials, with tailored porosity and surface functionality, will decrease both radioactive waste volume and the potential for environmental risk. The collaboration between the Caruso group at the University of Melbourne and the Luca group at ANSTO will educate more scientists and students in the areas of nuclear science and engineering, and the environmental impact of nuclear power generators. Such expertise is currently in high demand around the world, thereby enhancing Australia's position in the global nuclear field.Read moreRead less
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
Studies of metal compounds containing carbon chains - approaches to novel materials. There is an increasing need to design functional devices on the molecular scale ("nanotechnology"). We are developing the chemistry of compounds which contain chains of up to 12 carbon atoms to allow electronic communication between metal centres attached to each end. This projects seeks to extend this work, to discover new and more effective compounds, and to develop the associated chemistry to provide synthese ....Studies of metal compounds containing carbon chains - approaches to novel materials. There is an increasing need to design functional devices on the molecular scale ("nanotechnology"). We are developing the chemistry of compounds which contain chains of up to 12 carbon atoms to allow electronic communication between metal centres attached to each end. This projects seeks to extend this work, to discover new and more effective compounds, and to develop the associated chemistry to provide syntheses of novel compounds of potential use in the fine chemicals industry. Extensive collaboration with French colleagues exists and will continue.Read moreRead less
All-carbon molecules in metal complexes - novel materials and intermediates. An important requirement for the future is new materials with unusual properties that can be controlled. The need for ever smaller electronic devices requires knowledge about appropriate properties (particularly electronic) of molecules designed to model devices such as wires, switches, etc. This work seeks to design, measure and evaluate such molecules, which are based on chains of carbon atoms linking metal centres ....All-carbon molecules in metal complexes - novel materials and intermediates. An important requirement for the future is new materials with unusual properties that can be controlled. The need for ever smaller electronic devices requires knowledge about appropriate properties (particularly electronic) of molecules designed to model devices such as wires, switches, etc. This work seeks to design, measure and evaluate such molecules, which are based on chains of carbon atoms linking metal centres which can gain or lose electrons readily. As the electronic structure changes, so do the physical (photo, solid-state) and chemical properties (reactivity). Improved understanding of these features will benefit development of advanced technology and new materials.Read moreRead less
Organometallic Transformations of Organic Compounds. The program will develop new metal-based catalysts for two main purposes (i) transforming basic hydrocarbons eg. natural gas and low-molecular-weight petroleum products into more advanced compounds (such as alcohols, alkenes and carboxylic acids); and (ii) converting nitrogen gas into nitrogen-containing compounds eg. ammonia or ammonia derivatives. In both projects, the aim is to take readily available and abundant starting materials that ar ....Organometallic Transformations of Organic Compounds. The program will develop new metal-based catalysts for two main purposes (i) transforming basic hydrocarbons eg. natural gas and low-molecular-weight petroleum products into more advanced compounds (such as alcohols, alkenes and carboxylic acids); and (ii) converting nitrogen gas into nitrogen-containing compounds eg. ammonia or ammonia derivatives. In both projects, the aim is to take readily available and abundant starting materials that are currently difficult to utilise and to design and develop specific reagents to convert them to "value-added" products. The program will also explore the mode of action of metal-based reagents leading to better reagent and catalyst design.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