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Issue 44, 2017
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Chromophores of chromophores: a bottom-up Hückel picture of the excited states of photoactive proteins

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Abstract

Many photoactive proteins contain chromophores based on para-substituted phenolate anions which are an essential component of their electronic structure. Here, we present a reductionist approach to gain fundamental insight into the evolution of electronic structure as the chromophore increases in complexity from phenolate to that in GFP. Using frequency- and angle-resolved photoelectron spectroscopy, in combination with electronic structure theory, the onset of excited states that are responsible for the characteristic spectroscopic features in biochromophores are determined. A comprehensive, yet intuitive picture of the effect of phenolate functionalisation is developed based on simple Hückel theory. Specifically, the first two bright excited states can be constructed from a linear combination of molecular orbitals localised on the phenolate and para-substituent groups. This essential interaction is first observed for p-vinyl-phenolate. This bottom-up approach offers a readily accessible framework for the design of photoactive chromophores.

Graphical abstract: Chromophores of chromophores: a bottom-up Hückel picture of the excited states of photoactive proteins

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Publication details

The article was received on 23 Aug 2017, accepted on 18 Sep 2017 and first published on 18 Sep 2017


Article type: Paper
DOI: 10.1039/C7CP05766K
Citation: Phys. Chem. Chem. Phys., 2017,19, 29772-29779
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    Chromophores of chromophores: a bottom-up Hückel picture of the excited states of photoactive proteins

    C. S. Anstöter, C. R. Dean and J. R. R. Verlet, Phys. Chem. Chem. Phys., 2017, 19, 29772
    DOI: 10.1039/C7CP05766K

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