Coordination Chemistry Using Strategic Design of Ligands: Fundamental Explorations and Applications

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In this research proposal, we will address the questions: How can we contribute to improved molecular design for (1) sensing environmental (oxo-)anions, and (2) producing magnetic molecules? (3) How can we `turn on' and `turn off' molecular magnetic properties? We will address these questions because: (1) While essential to multiple life cycles, oxo-anions, like phosphate, can also cause eutrophication of aquatic ecosystems (that is, the overgrowth of plant matter, and death of animals due to lack of oxygen), and therefore materials that can be used for sensing of phosphate are desirable. We have previously demonstrated that our molecules are able to attract oxo-anions. Understanding of new structure-function relationships will enable further development of better sensors which is essential for lower detection limits required by increasingly stringent regulations. The proposed research will generate a library of receptors for screening a wide array of anionic analytes, which is critical in global regions in need of environmental remediation. (2) Since the first reported molecular magnets in 1993, there has been great enthusiasm for this class of molecules because they could have use as magnetic storage devices and for use as qubits (in other words, they could be used in quantum computing). One of the challenges that still exists is getting these molecules to behave like magnets at room temperature (since many function only near absolute zero!) In the proposed research, we are making tunable organic molecules to interact with metal cations, which will enable us to adjust the functionality of new molecular magnets. By varying organic components which interact with spin active metals, we will contribute to the improved molecular design of unique and untapped molecular magnetic materials. (3) One step towards achieving magnetic device applications is the incorporation of a "switch" into the molecular magnet. In the proposed research, we will introduce functionality into our organic component to `turn on' and `turn off' molecular magnetic properties. We propose to do this in three ways: by (a) incorporating a redox active site; or (b) building a redox active organic backbone; or (3) using light to change the conformation of our molecules. These approaches will enable us to induce a switch at the molecular level for our systems. The knowledge that is generated by our proposed research will be used by us and by others to advance the fields of environmental anionic detection and molecular magnetism. Our research group has unique expertise in the analysis of single crystal X-ray structures and magnetism, and combined, we are positioned to provide new insights in structure-function relationships. This environment will provide trainees with excellent opportunities to develop skills that will equip them to contribute to academic, government, and industrial research labs, ensuring that this research program will benefit the larger Canadian community.