Purely organic molecules usually absorb or emit (fluorescence) light only via their singlet states because transitions to the triplet state are ‘forbidden’. However, in organometallic complexes with heavy metals such as iridium or platinum strong relativistic effects (such as spin-orbit coupling) mean that transitions to and from triplet states are allowed. However, at this stage it is not possible to predict or even explain why some complexes perform very well, e.g., are highly luminescent while others with only slight structural changes are not. We have been working on a method that will allow this to be done for the first time. The projects in this area will compare the solutions of the Schrodinger and Dirac equations to study the role of relativistic quantum-mechanical effects in the materials to expla
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