Warped Aromatic Cations: Synthesis and Material Properties.

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An unprecedented family of compounds will be prepared and studied that contain positively charged 'seven-membered ring defects' at the centre of their extended, graphene-like aromatic structures, giving rise to unusual opto-electronic properties.This research project will employ a broad range of experimental techniques in organic synthesis and structural analysis in order to prepare and study the target molecules, working towards the following objectives. [1] Synthesis of substituted cycloheptatrienes using Diels-Alder chemistry that is currently being developed in the McGonigal Group. [2] Oxidation to form the warped aromatic cations, performed either using chemical reagents or electrochemical potential. [3] DFT modelling to understand the relationship between structural modifications and material properties. [4] Spectroscopic investigations (NMR, IR) of the dynamic properties (ring flipping) of the warped aromatics in solution. [5] Investigation of optoelectronic properties using UV-vis spectroscopy, cyclic voltammetry and spectroelectrochemical techniques.