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

Name: Phenoxyl Radicals Hydrogen‐Bonded to Imidazolium: Analogues of Tyrosyl D. of Photosystem II: High‐Field EPR and DFT Studies
Uploaded: 2005-08-15

L. Benisvy; Robert Bittl; E. Bothe; Jonathan McMaster; Jonathan McMaster; S.H.K. Ross; Christian Teutloff; Frank Neese

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ID: W2149126301
Title: Phenoxyl Radicals Hydrogen‐Bonded to Imidazolium: Analogues of Tyrosyl D. of Photosystem II: High‐Field EPR and DFT Studies
Abstract: Angewandte Chemie International EditionVolume 44, Issue 33 p. 5314-5317 Communication Phenoxyl Radicals Hydrogen-Bonded to Imidazolium: Analogues of Tyrosyl D. of Photosystem II: High-Field EPR and DFT Studies† Laurent Benisvy Dr., Laurent Benisvy Dr. [email protected] Max-Planck-Institut für Bioanorganische Chemie, Stiftstrasse 34–46, 45470 Mülheim an der Ruhr, Germany, Fax: (+49) 208-306-3951Search for more papers by this authorRobert Bittl Prof. Dr., Robert Bittl Prof. Dr. Institut für Experimentalphysik, Freie Universität Berlin, Arnimallee 14, 14195 Berlin, GermanySearch for more papers by this authorEberhard Bothe Dr., Eberhard Bothe Dr. Max-Planck-Institut für Bioanorganische Chemie, Stiftstrasse 34–46, 45470 Mülheim an der Ruhr, Germany, Fax: (+49) 208-306-3951Search for more papers by this authorC. David Garner Prof., C. David Garner Prof. School of Chemistry, The University of Nottingham, University Park, Nottingham, NG7 2RD, UKSearch for more papers by this authorJonathan McMaster Dr., Jonathan McMaster Dr. School of Chemistry, The University of Nottingham, University Park, Nottingham, NG7 2RD, UKSearch for more papers by this authorStephanie Ross, Stephanie Ross School of Chemistry, The University of Nottingham, University Park, Nottingham, NG7 2RD, UKSearch for more papers by this authorChristian Teutloff Dr., Christian Teutloff Dr. Institut für Experimentalphysik, Freie Universität Berlin, Arnimallee 14, 14195 Berlin, GermanySearch for more papers by this authorFrank Neese PD Dr., Frank Neese PD Dr. [email protected] Max-Planck-Institut für Bioanorganische Chemie, Stiftstrasse 34–46, 45470 Mülheim an der Ruhr, Germany, Fax: (+49) 208-306-3951Search for more papers by this author Laurent Benisvy Dr., Laurent Benisvy Dr. [email protected] Max-Planck-Institut für Bioanorganische Chemie, Stiftstrasse 34–46, 45470 Mülheim an der Ruhr, Germany, Fax: (+49) 208-306-3951Search for more papers by this authorRobert Bittl Prof. Dr., Robert Bittl Prof. Dr. Institut für Experimentalphysik, Freie Universität Berlin, Arnimallee 14, 14195 Berlin, GermanySearch for more papers by this authorEberhard Bothe Dr., Eberhard Bothe Dr. Max-Planck-Institut für Bioanorganische Chemie, Stiftstrasse 34–46, 45470 Mülheim an der Ruhr, Germany, Fax: (+49) 208-306-3951Search for more papers by this authorC. David Garner Prof., C. David Garner Prof. School of Chemistry, The University of Nottingham, University Park, Nottingham, NG7 2RD, UKSearch for more papers by this authorJonathan McMaster Dr., Jonathan McMaster Dr. School of Chemistry, The University of Nottingham, University Park, Nottingham, NG7 2RD, UKSearch for more papers by this authorStephanie Ross, Stephanie Ross School of Chemistry, The University of Nottingham, University Park, Nottingham, NG7 2RD, UKSearch for more papers by this authorChristian Teutloff Dr., Christian Teutloff Dr. Institut für Experimentalphysik, Freie Universität Berlin, Arnimallee 14, 14195 Berlin, GermanySearch for more papers by this authorFrank Neese PD Dr., Frank Neese PD Dr. [email protected] Max-Planck-Institut für Bioanorganische Chemie, Stiftstrasse 34–46, 45470 Mülheim an der Ruhr, Germany, Fax: (+49) 208-306-3951Search for more papers by this author First published: 15 August 2005 https://doi.org/10.1002/anie.200501132Citations: 71 † The authors thank Miss Petra Höfer for technical assistance and Dr. Sebastian Sinnecker for help with the electronic structure calculations. This work has been supported by Deutsche Forschungsgemeinschaft (Sfb 498 TP C5 and SPP 1137) and the Engineering and Physical Sciences Research Council (UK) (GR/R50325/01). Read the full textAboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Share a linkShare onEmailFacebookTwitterLinkedInRedditWechat Graphical 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 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. References 1 1aJ. Stubbe, W. A. van der Donk, Chem. Rev. 1998, 98, 705–762; 1bJ. Stubbe, D. G. Nocera, C. S. Yee, M. C. Y. Chang, Chem. Rev. 2003, 103, 2167–2201. 2 2aG. T. Babcock, M. Espe, C. Hoganson, N. Lydakis-Simantiris, J. McCracken, W. Shi, S. Styring, C. Tommos, K. Warncke, Acta Chem. Scand. 1997, 51, 533–540; 2bG. M. Ananyey, I. Sakiyan, B. A. Diner, G. C. Dismukes, Biochemistry 2002, 41, 974–980; 2cA. W. Rutherford, A. Boussac, P. Faller, Biochim. Biophys. 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Publication Year: 2005
Publication Date: 2005-08-15
Language: en
Type: article
Indexed In: ['crossref', 'pubmed']

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'Doltsinis,': [1010], 'Kaupp,': [1012, 1021], '9854–9861;': [1019], '8bM.': [1020], 'Gress,': [1023], 'Reviakine,': [1025], 'Malkina,': [1028], 'V.': [1029], 'Malkin,': [1031], 'Phys.': [1033, 1052, 1157, 1165, 1212, 1221, 1235, 1261, 1272, 1289, 1316, 1333, 1342], 'B': [1035, 1223, 1263], '107,': [1037], '331–337;': [1038], '8cM.': [1039], 'Engström,': [1040], 'F.': [1041, 1279, 1283], 'Himo,': [1042], 'Gräslund,': [1044, 1123, 1144], 'Minaev,': [1046], 'Vahtras,': [1048], 'Ågren,': [1050], 'A': [1054, 1198, 1214], '2000,': [1055, 1097], '104,': [1056], '5149–5153.': [1057], '9S.': [1058], 'Atta,': [1061, 1142], 'Fontecave,': [1063], '1995,': [1071], '10': [1073], '713–10': [1074], '719.': [1075], '10E.': [1076], 'Fasanella,': [1078], 'Gordy,': [1080], '1969,': [1086], '62,': [1087], '299–304.': [1088], '11P.': [1089], 'Dorlet,': [1090], '39,': [1098], '7826–7834.': [1099], '12P.': [1100], 'Dam,': [1103], 'J.-P.': [1104], 'Willems,': [1105], 'Schmidt,': [1108, 1140], 'Pötsch,': [1110], 'A.-L.': [1111, 1133], 'Barra,': [1112, 1134], 'Hagen,': [1115], 'Hoffman,': [1118], 'Andersson,': [1121, 1137], '5080–5085.': [1130], '13P.': [1131], 'Allard,': [1132], '1996,': [1149, 1335], '118,': [1150], '895–896.': [1151], '14': [1152], '14aA.': [1153], 'Stone,': [1155, 1163], 'Mol.': [1156, 1164], '1963,': [1158], '6,': [1159], '509–515;': [1160], '14bA.': [1161], '1964,': [1166], '7,': [1167], '311–316.': [1168], '15F.': [1169], 'Neese,': [1170, 1313, 1339], 'ORCA,': [1171], 'An': [1172], 'ab': [1173], 'initio,': [1174], 'Density': [1175, 1202, 1302], 'Functional': [1176, 1203, 1303], 'Semiempirical': [1178], 'Program': [1179], 'Package,': [1180], 'Version': [1181], '2.4.13,': [1182], '2004.': [1192], '16W.': [1193], 'Koch,': [1194], 'Holthausen,': [1197], "Chemist's": [1199], 'Guide': [1200], 'Theory,': [1204], 'Wiley-VCH,': [1205], 'Weinheim,': [1206], '2000.': [1207], '17': [1208], '17aA.': [1209], 'Becke,': [1211, 1269], '1988,': [1215, 1264], '38,': [1216], '3098–3100;': [1217], '17bJ.': [1218], 'Perdew,': [1220], '1986,': [1224], '33,': [1225], '8822–8824.': [1226], '18A.': [1227], 'Schäfer,': [1228], 'Huber,': [1230], 'Ahlrichs,': [1232], '1994,': [1236, 1291], '5829–5835.': [1238], '19A.': [1239], 'Klamt,': [1240], 'Schüürmann,': [1242], 'Soc.,': [1245], 'Perkin': [1246], '1993,': [1249, 1273], '793–805.': [1250], '20': [1251], '20aC.': [1252], 'Lee,': [1254], 'Yang,': [1257], 'Parr,': [1260], '37,': [1265], '785–789;': [1266], '20bA.': [1267], '5648–5652;': [1275], '20cP.': [1276], 'Stephens,': [1278], 'Devlin,': [1281], 'Chabalowski,': [1284], 'Frisch,': [1287], '623–11': [1294], '627.': [1295], '21V.': [1296], 'Barone': [1297], 'Recent': [1299], 'Advances': [1300], 'Methods': [1304], '(Ed.:': [1305], '),': [1306], 'World': [1307], 'Scientific': [1308], 'Publishing,': [1309], 'Singapore,': [1310], '1996.': [1311], '22F.': [1312], '115,': [1318], '080–11': [1320], '096.': [1321], '23B.': [1322], 'Hess,': [1324], 'Marian,': [1327], 'U.': [1328], 'Wahlgren,': [1329], 'Gropen,': [1331], 'Lett.': [1334], '251,': [1336], '365–371.': [1337], '24F.': [1338], '122,': [1344], '034': [1345], '107/1–13.': [1346], '25A.': [1347], 'Stesmans,': [1348], 'Gorp,': [1351], 'Instrum.': [1354], '1989,': [1355], '60': [1356], '2949–2952.': [1357], 'Citing': [1358], 'Literature': [1359], 'Volume44,': [1360], 'Issue33August': [1361], '19,': [1362], '2005Pages': [1363], 'ReferencesRelatedInformation': [1365]}, 'cited_by_api_url': 'https://api.openalex.org/works?filter=cites:W2149126301', 'counts_by_year': [{'year': 2022, 'cited_by_count': 1}, {'year': 2021, 'cited_by_count': 3}, {'year': 2020, 'cited_by_count': 4}, {'year': 2019, 'cited_by_count': 4}, {'year': 2018, 'cited_by_count': 6}, {'year': 2017, 'cited_by_count': 1}, {'year': 2016, 'cited_by_count': 3}, {'year': 2015, 'cited_by_count': 3}, {'year': 2014, 'cited_by_count': 5}, {'year': 2013, 'cited_by_count': 3}, {'year': 2012, 'cited_by_count': 8}], 'updated_date': '2024-09-15T09:54:17.993493', 'created_date': '2016-06-24'}

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