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Reaction transition states of halide-cluster complexes via velocity-map imaging of photoelectrons. This study will investigate the transition point between the reactants and products of a chemical reaction using a novel photoelectron imaging technique, velocity-map imaging. It is this region of chemical reactions that is the least understood. By combining the use of weakly bound negatively charged clusters and laser photodetachment of these clusters, information can be gleaned about these transi ....Reaction transition states of halide-cluster complexes via velocity-map imaging of photoelectrons. This study will investigate the transition point between the reactants and products of a chemical reaction using a novel photoelectron imaging technique, velocity-map imaging. It is this region of chemical reactions that is the least understood. By combining the use of weakly bound negatively charged clusters and laser photodetachment of these clusters, information can be gleaned about these transition states. The technique will be applied to an important class of halide-cluster complexes that form a set of prototypical reactions. These species also play important roles ranging from ozone depletion through to industrial chemistry.Read moreRead less
Imaging chemical reaction dynamics from the transition state to reaction products. Chemical reactions play a key role in many atmospheric, environmental and industrial processes. An understanding of reactions at the molecular level will lead to significant economic benefits, through more efficient reaction control, and through the identification of the key environmental factors which influence why particular reactions proceed. Our study of chemical reaction dynamics has been driven by technolo ....Imaging chemical reaction dynamics from the transition state to reaction products. Chemical reactions play a key role in many atmospheric, environmental and industrial processes. An understanding of reactions at the molecular level will lead to significant economic benefits, through more efficient reaction control, and through the identification of the key environmental factors which influence why particular reactions proceed. Our study of chemical reaction dynamics has been driven by technological advances which enable key stages of a reaction to be imaged and studied at the molecular level. Read moreRead less
Linkage Infrastructure, Equipment And Facilities - Grant ID: LE0989197
Funder
Australian Research Council
Funding Amount
$225,000.00
Summary
Reaction Kinetics Analysis Facility. This proposal will establish a world-class resource to support major research efforts in a wide range of applications associated with the study of reaction mechanisms and intermediates in systems ranging from small molecules to complex polymers. This facility, which is unique in Australia and strongly builds on the broad expertise of the involved researchers at the participating institutions, will address an important need in the areas of physical-organic and ....Reaction Kinetics Analysis Facility. This proposal will establish a world-class resource to support major research efforts in a wide range of applications associated with the study of reaction mechanisms and intermediates in systems ranging from small molecules to complex polymers. This facility, which is unique in Australia and strongly builds on the broad expertise of the involved researchers at the participating institutions, will address an important need in the areas of physical-organic and physical chemistry by strengthening our capacity for cutting-edge research in reactive intermediate chemistry. The Facility will help to establish frontier technologies in the chemical sciences for building and transforming Australian industries in line with national research priorities.Read moreRead less
Hydrogen Abstraction in Chemical, Biochemical and Polymerization Processes. Hydrogen-abstraction reactions are of vital importance in the chemical, biochemical and polymerization processes that occur in everyday life. The objective of the proposed research is to improve our understanding of such reactions. State-of-the-art quantum chemistry calculations will be used to examine a broad range of hydrogen-abstraction reactions, and to obtain accurate information about the factors that influence suc ....Hydrogen Abstraction in Chemical, Biochemical and Polymerization Processes. Hydrogen-abstraction reactions are of vital importance in the chemical, biochemical and polymerization processes that occur in everyday life. The objective of the proposed research is to improve our understanding of such reactions. State-of-the-art quantum chemistry calculations will be used to examine a broad range of hydrogen-abstraction reactions, and to obtain accurate information about the factors that influence such reactions. Building on this work, more detailed case studies will be performed in two important areas: the hydrogen-abstraction steps in biochemical reactions mediated by coenzyme B12, and chain-transfer processes in conventional and controlled free-radical polymerization.Read moreRead less
Unravelling mechanisms in plasma growth of polymers. Surface engineering broadens the breadth of applications for many materials, and enhances the performance and value of current and emerging technologies. Surface engineering is particularly important to maintaining the competitiveness of manufacturing in developed economies such as Australia, that can not compete on a cost basis with emerging economies. Plasma coating replaces (alternative) environmentally-questionable surface treatments. This ....Unravelling mechanisms in plasma growth of polymers. Surface engineering broadens the breadth of applications for many materials, and enhances the performance and value of current and emerging technologies. Surface engineering is particularly important to maintaining the competitiveness of manufacturing in developed economies such as Australia, that can not compete on a cost basis with emerging economies. Plasma coating replaces (alternative) environmentally-questionable surface treatments. This project enhances Australian competitiveness; it cuts across industrial sectors and will deliver the new knowledge required to enhance material/technology functionality/performance. A PhD student will receive a multi-disciplinary training in a frontier technology and advanced analytical tools.Read moreRead less
Intervalence Transfer in Dinuclear and Oligonuclear Polymetallic Assemblies. Mixed-valence compounds (such as the pigment Prussian Blue) have been known for over two centuries, and possess important conductivity, magnetic and spectral properties. Electron transfer between the elements of different valency (intervalence charge transfer, IVCT) gives rise to absorbances in the red or near-infrared region of the spectrum which provide fundamental information on the electron migration. By design of ....Intervalence Transfer in Dinuclear and Oligonuclear Polymetallic Assemblies. Mixed-valence compounds (such as the pigment Prussian Blue) have been known for over two centuries, and possess important conductivity, magnetic and spectral properties. Electron transfer between the elements of different valency (intervalence charge transfer, IVCT) gives rise to absorbances in the red or near-infrared region of the spectrum which provide fundamental information on the electron migration. By design of target di- and higher nuclearity polymetallic species, the project will study IVCT phenomena to understand electron movement, allowing rational development of applicable materials such as catalysts, light-activated devices and non-linear optical materials.Read moreRead less
Structures and Properties of beta-R3M (M = Si, Ge, Sn)- and beta-Chalcogenyl-substituted Carbenium Ions. The benefits of this work are many-fold. The scientific knowledge gained will be invaluable to all scientists working in organic chemistry; mechanistic chemists who will learn from the science, and synthetic organic chemists who can utilise the results when planning strategies for the synthesis of complex drugs. Another major benefit of this research is in the training of young scientists. Th ....Structures and Properties of beta-R3M (M = Si, Ge, Sn)- and beta-Chalcogenyl-substituted Carbenium Ions. The benefits of this work are many-fold. The scientific knowledge gained will be invaluable to all scientists working in organic chemistry; mechanistic chemists who will learn from the science, and synthetic organic chemists who can utilise the results when planning strategies for the synthesis of complex drugs. Another major benefit of this research is in the training of young scientists. The students who work on this proposal gain invaluable experience in many areas of chemistry, ranging from synthetic chemistry to structural chemistry and theoretical chemistry. They will also gain experience in important physical techniques from NMR spectroscopy to X-ray crystallography.Read moreRead less
Nucleophilic carbenes as organocatalysts for asymmetric synthesis. Chemical compounds which come in two chiral mirror images (enantiomers) can have very different biological function. Often one form can have beneficial effects while the other can cause great harm (such as birth defects in the case of thalidomide). It is therefore very important for the drug industry to have asymmetric chemical reactions that lead specifically to only one enantiomer. The asymmetric reactions in this project ha ....Nucleophilic carbenes as organocatalysts for asymmetric synthesis. Chemical compounds which come in two chiral mirror images (enantiomers) can have very different biological function. Often one form can have beneficial effects while the other can cause great harm (such as birth defects in the case of thalidomide). It is therefore very important for the drug industry to have asymmetric chemical reactions that lead specifically to only one enantiomer. The asymmetric reactions in this project have been used previously to synthesise the anti-cancer metabolite roseophilin. The results of this project will ensure that there are many more similar success stories in the pharmaceutical and biotechnology industries.Read moreRead less
Approaching anion solvation from the bottom up: infrared studies of negatively charged complexes and clusters. We will employ novel spectroscopic strategies to probe the structures of mass-selected anion complexes and clusters in the gas-phase with the purpose of exploring non-covalent forces responsible for anion solvation. The work is motivated by a recognition that anions serve as key participants in a host of natural and industrial chemical processes, and that their physical and chemical pro ....Approaching anion solvation from the bottom up: infrared studies of negatively charged complexes and clusters. We will employ novel spectroscopic strategies to probe the structures of mass-selected anion complexes and clusters in the gas-phase with the purpose of exploring non-covalent forces responsible for anion solvation. The work is motivated by a recognition that anions serve as key participants in a host of natural and industrial chemical processes, and that their physical and chemical properties depend critically upon interactions with solvent molecules. The experimental results should serve as a critical test for computational approaches to describing anion-neutral interactions, and provide new insights into the behaviour of electrolytes, acid-base chemistry, and fundamental bimolecular reactions.Read moreRead less
Novel Scanning Electrochemical Microscopy applications in molecular, supramolecular electrochemistry and biological systems. Improved understanding of chemical reactivity in natural and artificial molecular systems and acquisition of a wider perspective of electron transfer processes are two important challenges in chemistry and biology. Through this well defined research project, the CI, jointly with the host facility, has the skills to achieve valuable new insights. This project will expand Au ....Novel Scanning Electrochemical Microscopy applications in molecular, supramolecular electrochemistry and biological systems. Improved understanding of chemical reactivity in natural and artificial molecular systems and acquisition of a wider perspective of electron transfer processes are two important challenges in chemistry and biology. Through this well defined research project, the CI, jointly with the host facility, has the skills to achieve valuable new insights. This project will expand Australia's knowledge base and research capability and open new scenarios for frontier technologies and advanced materials. This project will introduce the SECM methods into Australia. The foreseen benefits include technology exchange and contribution to fundamental and applied science.Read moreRead less