Electron Paramagnetic Resonance and Magnetic Studies of Paramagnetic F-Block Metal Complexes

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This project concerns the development of novel experimental methods that enable a systematic study of the extent of covalency in the chemical bonding of f-element organometallic complexes containing cyclopentadinyl ligands (i.e. M(Cp)3). It also aims to use magnetic and EPR techniques to gain information on spin dynamics, quantum coherence properties, and magnetic behaviours, with a view of probing their utility for quantum information storage and processing. Specific objectives are: (i) Explore the magnetic behaviours of MIII(Cp-R)3 and [MII(Cp-R)]K type complexes through magnetic measurements and continuous-wave (CW) EPR spectroscopy; (ii) Measure spin-coherence and spin-lattice relaxation via modern spin-echo EPR methods (i.e. ESEEM; transient nutation); (iii) Determine the extent of covalency in the metal-ligand bond through quantification of hyperfine interactions using cw-EPR, HYSCORE and ENDOR techniques;(iv) Model the magnetic and EPR data of the compounds using specific software: EasySpin, XSophe, PHI, etc. (v) Compare and interpret the results obtained in (i)-(iv) to gain understanding of the properties of the compounds: covalency; electronic structure; quantum behaviour; (vi) Use knowledge gained in (v) to design future materials.