Precision Measurement of Highly Excited Atoms and Molecules: From the Infrared to the Vacuum Ultraviolet. Precise measurements of the structure and dynamics of atomic and molecular systems provide important benchmarks against which our fundamental understanding of matter can be tested. Such measurements also provide reference standards, with applications in many subfields (e.g. testing theories that indicate time dependence of the fundamental constants). Determination of the behaviour of simple ....Precision Measurement of Highly Excited Atoms and Molecules: From the Infrared to the Vacuum Ultraviolet. Precise measurements of the structure and dynamics of atomic and molecular systems provide important benchmarks against which our fundamental understanding of matter can be tested. Such measurements also provide reference standards, with applications in many subfields (e.g. testing theories that indicate time dependence of the fundamental constants). Determination of the behaviour of simple molecules such as oxygen and nitrogen is important for understanding the complex processes that shape the atmosphere of the earth and other planets. These experiments will also enable the understanding of other chemical processes, and will build on our strengths in developing precision laser technologies.Read moreRead less
A priori simulations of condensed-phase molecular spectroscopy. Molecular spectroscopy is used to probe phenomena in chemistry, biology, and nanoscience, but interpretation of the results often requires simulation of the spectra. While most applications involve condensed phases, until recently most accurate computations could only be performed for gas-phase molecules. Last year, a major advance has started to emerge, stemming from the production of analytical atomic forces for molecules in exc ....A priori simulations of condensed-phase molecular spectroscopy. Molecular spectroscopy is used to probe phenomena in chemistry, biology, and nanoscience, but interpretation of the results often requires simulation of the spectra. While most applications involve condensed phases, until recently most accurate computations could only be performed for gas-phase molecules. Last year, a major advance has started to emerge, stemming from the production of analytical atomic forces for molecules in excited states obtained using density-functional theory. We will adapt these methods to solve fundamental chemical problems involving the intermolecular interactions of molecules that have absorbed light- in particular, hydrogen-bonding interactions in water, studying, eg., chemical solvation and optical damage to DNA.Read moreRead less
Linkage Infrastructure, Equipment And Facilities - Grant ID: LE0560658
Funder
Australian Research Council
Funding Amount
$481,533.00
Summary
Shared Laser Facility. The Australian Shared Laser Facility (ASLF) has been providing lasers for physical chemistry research for a decade. ASLF lasers are portable and are transported between participating laboratories according to need and research priorities. Funds are sought to expand the ASLF by 3 laser systems and 2 research groups. The requested lasers provide mid-IR and deep UV wavelengths, spectral regions inaccessible with existing ASLF lasers. Access to these wavelengths is essenti ....Shared Laser Facility. The Australian Shared Laser Facility (ASLF) has been providing lasers for physical chemistry research for a decade. ASLF lasers are portable and are transported between participating laboratories according to need and research priorities. Funds are sought to expand the ASLF by 3 laser systems and 2 research groups. The requested lasers provide mid-IR and deep UV wavelengths, spectral regions inaccessible with existing ASLF lasers. Access to these wavelengths is essential for Australian research to remain at the forefront of international physical chemistry research. ASLF laboratories support a wide range of chemical research including spectroscopy, environmental chemistry, astrochemistry, and exploration of nanostructured materials.Read moreRead less
Material Properties of Nanocrystals. The mechanical characteristics of nanocrystals determine the viability of many novel applications and devices emerging from the field of nanotechnology. Despite their fundamental importance, the mechanical properties of these nanocrystals is only vaguely understood, because their size has prohibited their measurement. In this project, we shall investigate the mechanical properties of these materials for the first time using a combination of theoretical modell ....Material Properties of Nanocrystals. The mechanical characteristics of nanocrystals determine the viability of many novel applications and devices emerging from the field of nanotechnology. Despite their fundamental importance, the mechanical properties of these nanocrystals is only vaguely understood, because their size has prohibited their measurement. In this project, we shall investigate the mechanical properties of these materials for the first time using a combination of theoretical modelling, atomic force microscopy, and a new form of spectroscopy that allows the actual deformation of nanocrystals to be measured. The fundamental scientific knowledge gained is expected to impact on the development of current and future nanodevices.Read moreRead less
Water storage in the earth's mantle - understanding the process of OH incorporation in olivine. The amount of water in the Earth's mantle is thought to be sufficient to replace the surface oceans more than ten times. Whether this water exists in a fluid, melt, or mineral is important for understanding a range of mantle properties. The entire upper mantle water budget may be accommodated at defect sites in the mineral olivine. However, defects found in natural olivine do not correspond to thos ....Water storage in the earth's mantle - understanding the process of OH incorporation in olivine. The amount of water in the Earth's mantle is thought to be sufficient to replace the surface oceans more than ten times. Whether this water exists in a fluid, melt, or mineral is important for understanding a range of mantle properties. The entire upper mantle water budget may be accommodated at defect sites in the mineral olivine. However, defects found in natural olivine do not correspond to those produced
experimentally. Therefore, previous conclusions on water storage in the mantle are questionable. To address this problem the mechanism of water incorporation in olivine will be investigated using experimental petrology and spectroscopy.Read moreRead less
Molecules as probes of the interstellar medium. It is one of the greatest challenges in Nature is to remotely identify what is in space. Interstellar molecules are identified by their spectra, but many features in these spectra are unknown, implying that there are many more molecules in space than we know about. With a stronger understanding of space chemistry, we could predict what should be there and verify it in the lab. Conversely, identification of these features will provide the tools to u ....Molecules as probes of the interstellar medium. It is one of the greatest challenges in Nature is to remotely identify what is in space. Interstellar molecules are identified by their spectra, but many features in these spectra are unknown, implying that there are many more molecules in space than we know about. With a stronger understanding of space chemistry, we could predict what should be there and verify it in the lab. Conversely, identification of these features will provide the tools to understand interstellar chemistry. In this project we combine skills in spectroscopy and astronomy to make these molecules in the laboratory, measure their spectra and thereby identify unknown molecules in space.Read moreRead less
Integrated Multidimensional Gas Chromatography - Spectroscopic Detection Methodology for Chemical Marker Discovery. Chemical species are pervasive in our modern society and are found in personal care products, foods, additives, petroleum products, illicit drugs, pharmaceuticals and pollutants. Each sample must be analysed to determine its accurate composition, and as a safeguard. This requires chemical methods of analysis. Classical chemical methods may fail when samples become too complex, or t ....Integrated Multidimensional Gas Chromatography - Spectroscopic Detection Methodology for Chemical Marker Discovery. Chemical species are pervasive in our modern society and are found in personal care products, foods, additives, petroleum products, illicit drugs, pharmaceuticals and pollutants. Each sample must be analysed to determine its accurate composition, and as a safeguard. This requires chemical methods of analysis. Classical chemical methods may fail when samples become too complex, or they may lead to imprecise identification. This Frontier Technologies proposal has broad national and international relevance through development of new methods for authentication of chemical identity and the subsequent superior ability to characterise numerous sample compositions.Read moreRead less
Nanomaterials: Probing supramolecular self-assembly at the solution/solid interface. Australia's competitiveness in nanotechnology must be underpinned by fundamental innovation and research. In a "bottom-up" approach to nanomaterials, it is important to understand, for the smallest possible machines that can be produced, how singular molecular components interact with one another, both during the assembly of any device and afterwards as it performs its function. For working devices the molecule ....Nanomaterials: Probing supramolecular self-assembly at the solution/solid interface. Australia's competitiveness in nanotechnology must be underpinned by fundamental innovation and research. In a "bottom-up" approach to nanomaterials, it is important to understand, for the smallest possible machines that can be produced, how singular molecular components interact with one another, both during the assembly of any device and afterwards as it performs its function. For working devices the molecules need to be assembled on a solid surface so that they can work in unison. In this project, in conjunction with researchers at the University of Cambridge, we use the new technique of gel-phase NMR spectroscopy to understand the factors involved as molecular components assemble on the surface of polystyrene beads.Read moreRead less
Spectroscopy of Single Quantum Dots. Colloidal semiconductor quantum dots are materials with promising applications in flat panel displays, biosensors, quantum dot lasers, and optical communication elements. Many of the applications are novel and require firm understanding of the physical and chemical properties of quantum dots to optimise reliability and performance. To fulfil the technological promise of fluorescent quantum dots, problems relating to quantum yield and photostability urgently n ....Spectroscopy of Single Quantum Dots. Colloidal semiconductor quantum dots are materials with promising applications in flat panel displays, biosensors, quantum dot lasers, and optical communication elements. Many of the applications are novel and require firm understanding of the physical and chemical properties of quantum dots to optimise reliability and performance. To fulfil the technological promise of fluorescent quantum dots, problems relating to quantum yield and photostability urgently need to be resolved. These issues will be addressed through spectroscopic studies of single quantum dots both in vacuum and in condensed phases. Ultimately, the findings will guide rational design of nanoscale devices based on quantum dot luminescence.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