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Charging transition metals with activating alkanes. The project aims to engineer positively charged metal complexes and use them to explore the chemistry of bound activated alkane ligands. The transformation of cheap, plentiful alkanes into more valuable products is a major quest in chemistry, and complexes of alkanes bound to metals are expected to play a key role in transformations of alkanes. The project intends to use the activated metal bound alkane to transform the normally inert alkane in ....Charging transition metals with activating alkanes. The project aims to engineer positively charged metal complexes and use them to explore the chemistry of bound activated alkane ligands. The transformation of cheap, plentiful alkanes into more valuable products is a major quest in chemistry, and complexes of alkanes bound to metals are expected to play a key role in transformations of alkanes. The project intends to use the activated metal bound alkane to transform the normally inert alkane into compounds with desirable functional groups. This should make the synthesis of alkane complexes stable at room temperature in solution a realistic possibility. These cheap, plentiful alkanes can be turned into more valuable products, bringing benefits to industry.Read moreRead less
Linkage Infrastructure, Equipment And Facilities - Grant ID: LE100100177
Funder
Australian Research Council
Funding Amount
$300,000.00
Summary
Advanced electron paramagnetic resonance (EPR) facilities for chemical, biological and materials sciences. New instrumentation to advance national research in hydrogen fuel generation from renewable sources, new generation photo-voltaic technologies, novel polymer and other chemical materials and advanced computing systems will be provided by this project. A new high sensitivity electron paramagnetic resonance facility, located at the Australian National University, will serve researchers in the ....Advanced electron paramagnetic resonance (EPR) facilities for chemical, biological and materials sciences. New instrumentation to advance national research in hydrogen fuel generation from renewable sources, new generation photo-voltaic technologies, novel polymer and other chemical materials and advanced computing systems will be provided by this project. A new high sensitivity electron paramagnetic resonance facility, located at the Australian National University, will serve researchers in the ACT region devoted to the broad range of activities summarised above. A particular focus involves novel, biologically inspired energy systems and high efficiency solar cell technology.Read moreRead less
Coinage metal nanoclusters: synthesis, structure and reactivity. Metal catalysts play important roles in the multi-billion dollar production of many industrial and fine chemicals used in wide-ranging applications including pharmaceuticals, insecticides and polymers. Despite the importance of metal catalysed reactions, the molecular details of such processes remain poorly understood. Breakthrough studies highlight that reactions previously thought to be catalysed by discrete metal catalysts are i ....Coinage metal nanoclusters: synthesis, structure and reactivity. Metal catalysts play important roles in the multi-billion dollar production of many industrial and fine chemicals used in wide-ranging applications including pharmaceuticals, insecticides and polymers. Despite the importance of metal catalysed reactions, the molecular details of such processes remain poorly understood. Breakthrough studies highlight that reactions previously thought to be catalysed by discrete metal catalysts are in fact catalysed by metal nanoclusters. This project involves the application of advanced mass spectrometric and computational methods to explore the formation and reactivity of copper, silver and gold nanoclusters. Identification of key reactive intermediates will inform the design of next generation catalysts.Read moreRead less
A Midas touch for electrophiles in new reaction development. This project aims to address the lack of knowledge about how high-value organic molecules are formed in gold-catalysed reactions by advancing a novel mode of catalysis. This project expects to generate new knowledge about these gold-catalysed reactions using an innovative, interdisciplinary approach incorporating computational and synthetic techniques. Expected outcomes of this project include the optimisation and development of import ....A Midas touch for electrophiles in new reaction development. This project aims to address the lack of knowledge about how high-value organic molecules are formed in gold-catalysed reactions by advancing a novel mode of catalysis. This project expects to generate new knowledge about these gold-catalysed reactions using an innovative, interdisciplinary approach incorporating computational and synthetic techniques. Expected outcomes of this project include the optimisation and development of important organic reactions and enhancing collaboration nationally and internationally between computational and synthetic chemists. This should provide significant benefits in the form of improved chemical reactions for chemists to prepare new pharmaceuticals, agrochemicals and materials.Read moreRead less
Discovery Early Career Researcher Award - Grant ID: DE170101403
Funder
Australian Research Council
Funding Amount
$360,000.00
Summary
Alloy catalyst design for synthesis of graphene and boron nitride sheets. This project aims to use computational methods to determine the optimal catalyst for growth of high quality, continuous films, a crucial scientific problem in the synthesis of two dimensional materials. It will use first-principles calculations to explore the growth of graphene and hexagonal boron nitride on several designed alloy catalysts and develop a physical model to understand the mechanism of the chemical vapour dep ....Alloy catalyst design for synthesis of graphene and boron nitride sheets. This project aims to use computational methods to determine the optimal catalyst for growth of high quality, continuous films, a crucial scientific problem in the synthesis of two dimensional materials. It will use first-principles calculations to explore the growth of graphene and hexagonal boron nitride on several designed alloy catalysts and develop a physical model to understand the mechanism of the chemical vapour deposition growth of the materials. The alloy catalyst design is expected to lead to experimental routes to synthesise high-quality and large-area graphene and hexagonal boron nitride films and accelerate the industrial application of two-dimensional nanomaterials. This will promote their application in catalysis, sensors, electronics, energy storage and increase Australia’s competitive advantage in synthesis of high-performance materials.Read moreRead less
C-H to C-F using electrochemistry and gold catalysis. Gold offers great potential in chemical catalysis and this project will use a fascinating new class of gold compounds discovered by the CIs, to develop novel catalysts. Using this chemistry a series of gold(III) compounds with fluoride ligands will be prepared. The catalytic properties of these molecules will then be explored, with a particular focus on adding value to arene hydrocarbons. The ultimate goal of the project is development of new ....C-H to C-F using electrochemistry and gold catalysis. Gold offers great potential in chemical catalysis and this project will use a fascinating new class of gold compounds discovered by the CIs, to develop novel catalysts. Using this chemistry a series of gold(III) compounds with fluoride ligands will be prepared. The catalytic properties of these molecules will then be explored, with a particular focus on adding value to arene hydrocarbons. The ultimate goal of the project is development of new catalysts for the formation of carbon-fluorine bonds and the selective fluorination of organic
compounds. Fluorinated organic molecules are of critical importance in medicinal chemistry and new catalysts of this type offers the potential for better synthesis of medicines and diagnostic agents.Read moreRead less
Switchable and stereocontrolled photoredox catalysis. This project aims to develop new catalytic synthetic reactions for the rapid and more direct functionalisation of organic compounds under mild conditions with the use of visible light. An integrated experimental and computational approach will be used to design potent visible-light photocatalysts that retain the advantages of standard photoredox catalysis but with the added ability to intercept and, thus control, reactive intermediates in sit ....Switchable and stereocontrolled photoredox catalysis. This project aims to develop new catalytic synthetic reactions for the rapid and more direct functionalisation of organic compounds under mild conditions with the use of visible light. An integrated experimental and computational approach will be used to design potent visible-light photocatalysts that retain the advantages of standard photoredox catalysis but with the added ability to intercept and, thus control, reactive intermediates in situ. This will enable the control of stereochemistry in photoredox reactions – not possible with standard catalysts - and establish other useful synthetic transformations. These strategies will make it easier to prepare valuable classes of organic molecules – efficiently, safely, and cost-effectively.
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Next generation material imaging, spectrometry and fabrication techniques. This project aims to solve a common, fundamental problem limiting the performance of mass spectrometers and high resolution electron microscopes: surface modification caused by unintended chemical reactions due to electron impact. The intended project outcomes will advance current understanding of electron restructuring of surfaces and open the door to next-generation material imaging, spectrometry and fabrication techniq ....Next generation material imaging, spectrometry and fabrication techniques. This project aims to solve a common, fundamental problem limiting the performance of mass spectrometers and high resolution electron microscopes: surface modification caused by unintended chemical reactions due to electron impact. The intended project outcomes will advance current understanding of electron restructuring of surfaces and open the door to next-generation material imaging, spectrometry and fabrication techniques. It will develop a superior detector for mass spectrometry and improve the imaging and nanofabrication capabilities of state-of-the-art electron microscopes. Read moreRead less