Phenoxyl Radicals Hydrogen‐Bonded to Imidazolium: Analogues of Tyrosyl D. of 
Photosystem II: High‐Field EPR and DFT Studies

Benisvy, Laurent; Bittl, Robert; Bothe, Eberhard; Garner, C. David; McMaster, Jonathan; Ross, Stephanie; Teutloff, Christian; Neese, Frank

doi:10.1002/anie.200501132

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Phenoxyl Radicals Hydrogen‐Bonded to Imidazolium: Analogues of Tyrosyl D. of Photosystem II: High‐Field EPR and DFT Studies

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Benisvy, Laurent
Research Department Wieghardt, Max Planck Institute for Bioinorganic Chemistry, Max Planck Society;

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Bothe, Eberhard
Research Department Wieghardt, Max Planck Institute for Bioinorganic Chemistry, Max Planck Society;

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Neese, Frank
Research Department Wieghardt, Max Planck Institute for Bioinorganic Chemistry, Max Planck Society;

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Citation

Benisvy, L., Bittl, R., Bothe, E., Garner, C. D., McMaster, J., Ross, S., et al. (2005). Phenoxyl Radicals Hydrogen‐Bonded to Imidazolium: Analogues of Tyrosyl D. of Photosystem II: High‐Field EPR and DFT Studies. Angewandte Chemie International Edition, 44(33), 5314-5317. doi:10.1002/anie.200501132.

Cite as: https://hdl.handle.net/21.11116/0000-0008-36C6-C

Abstract

The one‐electron oxidation of compounds 1H–3H occurs by a proton‐coupled electron‐transfer mechanism to produce a phenoxyl radical hydrogen‐bonded to an imidazolium carbon atom. Thus, these compounds serve as analogues for tyrosyl D. in photosystem II. This insight was obtained from a combination of W‐band EPR spectroscopy and DFT calculations.