Parkes, MA;
Crellin, J;
Henley, A;
Fielding, HH;
(2018)
A photoelectron imaging and quantum chemistry study of the deprotonated indole anion.
Physical Chemistry Chemical Physics
10.1039/c8cp01902a.
(In press).
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Abstract
Indole is an important molecular motif in many biological molecules and exists in its deprotonated anionic form in the cyan fluorescent protein, an analogue of green fluorescent protein. However, the electronic structure of the deprotonated indole anion has been relatively unexplored. Here, we use a combination of anion photoelectron velocity-map imaging measurements and quantum chemistry calculations to probe the electronic structure of the deprotonated indole anion. We report vertical detachment energies (VDEs) of 2.45 ± 0.05 eV and 3.20 ± 0.05 eV, respectively. The value for D₀ is in agreement with recent high-resolution measurements whereas the value for D₁ is a new measurement. We find that the first electronically excited singlet state of the anion, S₁(ππ*), lies above the VDE and has shape resonance character with respect to the D₀ detachment continuum and Feshbach resonance character with respect to the D₁ continuum.
Type: | Article |
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Title: | A photoelectron imaging and quantum chemistry study of the deprotonated indole anion |
Location: | England |
Open access status: | An open access version is available from UCL Discovery |
DOI: | 10.1039/c8cp01902a |
Publisher version: | http://dx.doi.org/10.1039/C8CP01902A |
Language: | English |
Additional information: | © the Owner Societies 2018. This article is licensed under a Creative Commons Attribution 3.0 Unported Licence (https://creativecommons.org/licenses/by/3.0/). |
Keywords: | Photoelectrons, Indole, Biological molecules, Proteins, Deprotonated anion |
UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry |
URI: | https://discovery.ucl.ac.uk/id/eprint/10049617 |
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