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
An Integrated Synthetic and NMR Spectroscopic Study of Photochemical Organometallic Bond Activation. Modifications of alkanes and related processes under study will occupy the heart of next generation catalysed chemical processes that may ultimately be used globally on a vast scale. A detailed knowledge of mechanism is the precursor to rational design and improvement of catalysed processes, making them more efficient and greener. This will allow better usage of Australia's natural gas and preci ....An Integrated Synthetic and NMR Spectroscopic Study of Photochemical Organometallic Bond Activation. Modifications of alkanes and related processes under study will occupy the heart of next generation catalysed chemical processes that may ultimately be used globally on a vast scale. A detailed knowledge of mechanism is the precursor to rational design and improvement of catalysed processes, making them more efficient and greener. This will allow better usage of Australia's natural gas and precious metal resources and benefit local chemical companies. Specialized new NMR technology that will greatly aid a wide range of local researchers will be developed to facilitate these studies. The researchers of the future will also be trained.Read moreRead less
Photodissociation Dynamics of Radicals and Molecules. Photodissociation dynamics involves studying fundamental chemical processes that underpin all chemical reactivity. We address three of the important unanswered questions in this field: i) how do the lessons learned from small molecules transfer to larger molecules? ii) can one control chemical reactivity by selecting specific states of the reactant?; and iii) are the dynamics of radicals fundamentally different to stable molecules? We wi ....Photodissociation Dynamics of Radicals and Molecules. Photodissociation dynamics involves studying fundamental chemical processes that underpin all chemical reactivity. We address three of the important unanswered questions in this field: i) how do the lessons learned from small molecules transfer to larger molecules? ii) can one control chemical reactivity by selecting specific states of the reactant?; and iii) are the dynamics of radicals fundamentally different to stable molecules? We will combine expertise in large molecule spectroscopy and photodissociation dynamics with technology in radical production to provide insight into these fundamental questions. Photodissociation dynamics is firmly embedded in photon science and technology.Read moreRead less
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
Molecular signatures of complex photodissociation reactions. All energy on earth comes from the sun, either directly (e.g photosynthesis) or indirectly (e.g fossil fuels). Photochemistry is the study of how this light is absorbed and what happens to a molecule afterwards. Despite significant experimental and theoretical advances in the past decade (some in our lab), scientists still cannot predict the outcomes of most photochemical reactions. In this project we will determine the reactivity o ....Molecular signatures of complex photodissociation reactions. All energy on earth comes from the sun, either directly (e.g photosynthesis) or indirectly (e.g fossil fuels). Photochemistry is the study of how this light is absorbed and what happens to a molecule afterwards. Despite significant experimental and theoretical advances in the past decade (some in our lab), scientists still cannot predict the outcomes of most photochemical reactions. In this project we will determine the reactivity of several small, fundamental organic molecules. Not only are these molecules pollutants around our cities, but discovery of how they react in the presence of light will allow us to understand and predict the photochemistry of a much wider range of organic species.Read moreRead less
Negative ion mass spectrometry: fundamentals and applied applications. 1. We seek to establish negative ion mass spectrometry as a major technological tool for the sequencing of peptides and proteins. In this context, we will investigate the structures and modes of action of peptide complexes which may be of importance for the treatment and control of heart disease and stroke.
2. Negative ions of known structure will be converted (in the mass spectrometer) into transient (and reactive) molecule ....Negative ion mass spectrometry: fundamentals and applied applications. 1. We seek to establish negative ion mass spectrometry as a major technological tool for the sequencing of peptides and proteins. In this context, we will investigate the structures and modes of action of peptide complexes which may be of importance for the treatment and control of heart disease and stroke.
2. Negative ions of known structure will be converted (in the mass spectrometer) into transient (and reactive) molecules which are present in interstellar ice and dust clouds. The structures and chemistry of such molecules are of importance in understanding the origins of life on this planet.Read moreRead less
Laser Diagnostics of Soot Formation in Precessing Jet Flames. In many practical combustion systems (e.g., boiler furnaces and rotary kilns), flame radiation is the major contributor to the required heat transfer. Soot formation is a means of enhancing flame radiation provided the soot is completely oxidised within the flame so that there are no soot emissions. The enhanced flame radiation can have a significant economic and environmental impact on plant operation (changes to the parameters tha ....Laser Diagnostics of Soot Formation in Precessing Jet Flames. In many practical combustion systems (e.g., boiler furnaces and rotary kilns), flame radiation is the major contributor to the required heat transfer. Soot formation is a means of enhancing flame radiation provided the soot is completely oxidised within the flame so that there are no soot emissions. The enhanced flame radiation can have a significant economic and environmental impact on plant operation (changes to the parameters that influence soot formation can also influence NOx and greenhouse gas emissions). The objectives of this project are to identify and quantify the operating parameters that influence soot formation and destruction in such flames.Read moreRead less
The formation of negative ions and neutrals in the gas phase. Structure, reactivity and mechanism. Mass spectrometry is an analytical technique used to provide information concerning the structure of a chemical compound: it is particularly useful when dealing with small amounts of biologically important molecules. It is also a facility in which charged species can be converted into transient neutrals. This project will (i) produce information about negative ion fragmentations in order to extend ....The formation of negative ions and neutrals in the gas phase. Structure, reactivity and mechanism. Mass spectrometry is an analytical technique used to provide information concerning the structure of a chemical compound: it is particularly useful when dealing with small amounts of biologically important molecules. It is also a facility in which charged species can be converted into transient neutrals. This project will (i) produce information about negative ion fragmentations in order to extend the applicability of analytical negative-ion mass spectrometry, (ii) form neutral molecules and related species which are found in stellar dust clouds and investigate their chemistry, and (iii) train graduates in ion chemistry to the highest international standards.Read moreRead less
Cumulenes and Heterocumulenes - Stellar Molecules and New Materials. This project involves the formation and characterisation of transient neutrals (formed in the mass spectrometer by neutralisation of charged precursor ions) which are either found in stellar dust clouds, or related molecules which may be either potential stellar molecules or have importance in the development of new materials. This work may lead to a better understanding of how biomolecules are formed in interstellar environs. ....Cumulenes and Heterocumulenes - Stellar Molecules and New Materials. This project involves the formation and characterisation of transient neutrals (formed in the mass spectrometer by neutralisation of charged precursor ions) which are either found in stellar dust clouds, or related molecules which may be either potential stellar molecules or have importance in the development of new materials. This work may lead to a better understanding of how biomolecules are formed in interstellar environs. The Adelaide and Berlin groups are internationally known, already with ongoing collaboration. This application seeks to extend the scope of this world-class research, and to train the premier graduate students in astrochemistry.Read moreRead less