Modelling photosynthetic electron transfer and synthesis of artificial photosynthetic mimics

This project aims use molecular modelling methods and spectroscopy to understand how the protein environment of electron transfer cofactors in photosysnthesis and in particular the ferroquinone and oxygen evolving complex, facilitates electron transfer and also helps stabilise these species. The techniques used will include electronic structure calculation based on density functional theory synthetic chemistry, X-ray crystal structure determination and high resolution Electron Paramagnetic Resonance spectroscopic techniques. Using crystallographically determined coordinates for the cofactor and protein atoms the stability and spectroscopic characteristics of the charge separated state will be revealed. With such fundamental an understanding we can then proceed to intelligently design artificial systems to mimic nature's method of solar energy capture. We have recently made significant breakthroughs in this area the details of which are contained in our 5 most recent publications listed below.