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Issue 45, 2014
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Red-shifting the optical response of firefly oxyluciferin with group 15/16 substitutions

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Abstract

Time-dependent density functional theory has been used to investigate the effects of group 15/16 element substitution on the optical response of firefly oxyluciferin. A range of analogues containing symmetrical substitutions at the N and S atom positions of the naturally-occurring oxyluciferin have been found to have red-shifted electronic excitation energies with the heaviest derivative investigated (As/Se) displaying a shift of −0.69 eV. Fluorescence emission wavelengths for all P- and As-containing derivatives in DMSO are estimated to lie in the 710–930 nm region making them interesting for bio-imaging applications.

Graphical abstract: Red-shifting the optical response of firefly oxyluciferin with group 15/16 substitutions

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Publication details

The article was received on 26 Sep 2014, accepted on 14 Oct 2014 and first published on 15 Oct 2014


Article type: Paper
DOI: 10.1039/C4CP04347B
Author version available: Download Author version (PDF)
Citation: Phys. Chem. Chem. Phys., 2014,16, 24971-24977
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    Red-shifting the optical response of firefly oxyluciferin with group 15/16 substitutions

    B. F. Milne, Phys. Chem. Chem. Phys., 2014, 16, 24971
    DOI: 10.1039/C4CP04347B

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