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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: http://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.