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

作者：L. Benisvy, Robert Bittl, Eberhard Bothe, C. David Garner, Jonathan McMaster, S.H.K. Ross, Christian Teutloff, Frank Neese · 发表于：Angewandte Chemie International Edition · 年份：2005 · DOI：10.1002/anie.200501132 · 被引用次数：79 · 研究领域：Photosynthetic Processes and Mechanisms、Photochemistry and Electron Transfer Studies、Metal-Catalyzed Oxygenation Mechanisms

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.