Our joint paper ‘Controlling light‐induced proton transfer from the GFP chromophore’ together with the group of Prof. Lars H. Andersen from Department of Physics and Astronomy, Aarhus University, is now published in ChemPhysChem!
By combining experiment and theory, we study light-induced proton transfer from the GFP chromophore in hydrogen-bonded complexes with anionic proton acceptors. We address the role of the strong H-bond and the quantum mechanical proton-density distribution in the excited state, which determines the proton-transfer probability. Using the XMCQDPT2 theory within the Firefly computational package, we show that excited-state proton transfer can be wavelength dependent.