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

Anstöter, Cate S.; Dean, Charlie R.; Verlet, Jan R.R.

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


Authors

Cate S. Anstöter

Charlie R. Dean



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.

Citation

Anstöter, C. S., Dean, C. R., & Verlet, J. R. (2017). Chromophores of chromophores: a bottom-up Hückel picture of the excited states of photoactive proteins. Physical Chemistry Chemical Physics, 19(44), 29772-29779. https://doi.org/10.1039/c7cp05766k

Journal Article Type Article
Acceptance Date Sep 18, 2017
Online Publication Date Sep 18, 2017
Publication Date Nov 28, 2017
Deposit Date Dec 12, 2017
Publicly Available Date Sep 18, 2018
Journal Physical Chemistry Chemical Physics
Print ISSN 1463-9076
Electronic ISSN 1463-9084
Publisher Royal Society of Chemistry
Peer Reviewed Peer Reviewed
Volume 19
Issue 44
Pages 29772-29779
DOI https://doi.org/10.1039/c7cp05766k

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