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Issue 22, 2018
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A photoelectron imaging and quantum chemistry study of the deprotonated indole anion

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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.

Graphical abstract: A photoelectron imaging and quantum chemistry study of the deprotonated indole anion

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Supplementary files

Article information


Submitted
23 Mar 2018
Accepted
19 May 2018
First published
21 May 2018

This article is Open Access

Phys. Chem. Chem. Phys., 2018,20, 15543-15549
Article type
Paper

A photoelectron imaging and quantum chemistry study of the deprotonated indole anion

M. A. Parkes, J. Crellin, A. Henley and H. H. Fielding, Phys. Chem. Chem. Phys., 2018, 20, 15543
DOI: 10.1039/C8CP01902A

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