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Phenoxyl Radicals Hydrogen‐Bonded to Imidazolium: Analogues of Tyrosyl D . of Photosystem II: High‐Field EPR and DFT Studies
Author(s) -
Benisvy Laurent,
Bittl Robert,
Bothe Eberhard,
Garner C. David,
McMaster Jonathan,
Ross Stephanie,
Teutloff Christian,
Neese Frank
Publication year - 2005
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200501132
Subject(s) - electron paramagnetic resonance , photosystem ii , chemistry , radical , hydrogen atom , electron transfer , hydrogen , spectroscopy , photochemistry , proton , electron , crystallography , computational chemistry , nuclear magnetic resonance , organic chemistry , photosynthesis , physics , biochemistry , alkyl , quantum mechanics
The one‐electron oxidation of compounds 1 H– 3 H 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.