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

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. Supporting information for this article is available on the WWW under http://www.wiley-vch.de/contents/jc_2002/2005/z501132_s.pdf or from the author. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.