Cate S. Anstöter
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.
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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