Grant: Discovery Grants Program - Individual

Chemistry is the Science of change. We are interested in understanding chemical reactivity and the ephemeral intermediates that are produced in chemical reactions. We will pursue a multi-disciplinary program that explores the structure and bonding of inorganic molecues, and relates these features to their reactivity and chemical properties. A study of the structure and bonding displayed by hydride and sigma-bond complexes of the transition metals forms the central theme of the research proposal. Building on our successful characterization of 'agostic' interactions, we will expand our highly successful cutting-edge program that measures and interprets the charge density; i.e. the distribution of electrons in in small molecules. This will then be related back to their chemical properties. We will examine the intriguing quantum mechanical behaviour of in some metal hydride complexes, at the same time preparing new examples of complexes displaying this property. We will also seek evidence for the behaviour of hydrogen fluoride, HF, as an intact molecular ligand in transition metal compounds. A preliminary study has developed an apparatus for in activation of metal complexes using laser irradiation. NMR spectroscopy will be used to identify and characterize the reactive transient molecules generated by this technique. Photochemically generated species like these are key intermediates in important reactions in industry and chemical synthesis. We will also use the charge density techniques described above to study selected inorganic molecules that serve as models for metalloenzymes in biological systems. It is the electron distribution in these systems that determines their high activity and selectivity; charge density analysis will allow us to observe this electron distribution directly, and hopefully to understand their chemistry better.