Development of Open and Closed Shell Multifunctional Materials for Magnetic, Conductive and Optical Applications

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Increasing worldwide demand for energy is driving not only the search for alternative (non-fossil) fuel sources, but also the exploration of new technologies for harvesting, transferring and processing energy and information. In the post-transistor digital age, new electronic and optical devices are required to have improved performance relative to conventional silicon-based systems; they must be smaller, lighter and more efficient. In light of these demands, the case for organic materials as building blocks for new electronic, optical and magnetic materials holds much appeal. Recent Nobel Prizes in Chemistry (2000) and Physics (2010), awarded for groundbreaking work in conductive organics, reflect both the interest and progress that has been made in recent years. Essential to the continuation of these technological advancements are new materials by design with tailor made properties. This endeavour, which inspires research in industrial and academic settings, represents the underlying motivation for the present research proposal involving the design and development of new multifunctional materials for molecular electronics. We aim to address this task by making novel innovative contributions to several areas of broad interest. Specific research directions are: 1. Heterocyclic Radicals: Here our focus is twofold; we seek to uncover the fundamental reactivity that governs isolable neutral radicals, and to deploy these within leading materials applications. We will establish the synthetic methodology to prepare a variety of new chalcazyl radicals and polyradicals, and implement them into conductive, magnetic or optical devices. This work will produce novel and impactful chemical insight into the synthesis, structure and properties of open-shell compounds in order to develop innovative materials that have the diversity and exceptional properties required to transform materials design for molecular electronics. 2. Ligand Design & Coordination Chemistry: Exploiting our expertise in heteroaromatic materials, we will tap into the enormous potential of chalcazyls as ligands. We will prepare polydentate ligands, and develop lightweight, densely packed materials in which the metal ions can communicate through the ligand. This work will address key factors that affect the synthetic methodology of the spectacularly versatile, underexplored family of chalcazyls as ligands, and provide novel insight into the intriguing physical properties of multi-metallic complexes/polymers/networks. 3. Covalent Organic Frameworks (COFs): In this new research direction, we will develop radical-based COFs. This high-risk work promises to take our research to the next level, providing a new strategy and direction in the quest for high-performance-conjugated polymers that can pave the way for innovations in fields from organic electronics and energy storage to gas separation and storage.