Events in Physics
Metallodithiolenes: Pure Inquiry to Practical Application
Speaker: Dr Stephen Sproules, School of Chemistry and Photon Science Institute, The University of Manchester
Abstract:
The crystal structure of [Re(pdt)3] (pdt = 1,2-diphenyl-1,2-dithiolate) was the first example of a trigonal prismatic coordination complex. As such, it was extensively studied by spectroscopic and theoretical techniques to identify the electronic reasons for its unusual geometry. Having an S = 1/2 ground state made it accessible to EPR spectroscopy, however, the spectrum is complicated and no attempts were initiated to explain these observations. Presented here is the correct interpretation of the spectrum that includes a colossal quadrupole coupling of the 183,185Re nuclei. This afforded an unambiguous electronic structure description of the neutral tris(dithiolene)rhenium compound. The result allowed assignment of the other three members of the electron transfer series interconnected by reversible one-electron steps by S K-edge X-ray absorption spectroscopy, and complemented by DFT calculations.
The intriguing physical characteristics displayed by transition metal dithiolenes stems from the intrinsic redox activity of the ligand. This trait is exploited in the design of novel molecular spin qubits where traditional role of the organic and inorganic components is reversed. The electron spin is anchored on ligands linked by metal ions to form prototypical two- and three-qubit gates for quantum computing.