{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,21]],"date-time":"2026-09-21T01:21:11Z","timestamp":1789953671197,"version":"4.0.1"},"reference-count":58,"publisher":"Wiley","issue":"56","license":[{"start":{"date-parts":[[2018,9,7]],"date-time":"2018-09-07T00:00:00Z","timestamp":1536278400000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":["chemistry-europe.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Chemistry A European J"],"published-print":{"date-parts":[[2018,10,9]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>Electrochemical oxidation of the complex [Fe<jats:sub>2<\/jats:sub>(CO)<jats:sub>4<\/jats:sub>(\u03ba<jats:sup>2<\/jats:sup>\u2010dmpe)(\u03bc\u2010adt<jats:sup>Bn<\/jats:sup>)] (adt<jats:sup>Bn<\/jats:sup>=(SCH<jats:sub>2<\/jats:sub>)<jats:sub>2<\/jats:sub>NCH<jats:sub>2<\/jats:sub>C<jats:sub>6<\/jats:sub>H<jats:sub>5<\/jats:sub>, dmpe=Me<jats:sub>2<\/jats:sub>PCH<jats:sub>2<\/jats:sub>CH<jats:sub>2<\/jats:sub>PMe<jats:sub>2<\/jats:sub>) (<jats:bold>1<\/jats:bold>) has been studied by cyclic voltammetry (CV) in acetonitrile and in dichloromethane in the presence of various substrates L (L=MeCN, trimethylphosphite, isocyanide). The oxidized species, [<jats:bold>1<\/jats:bold>\u2010MeCN](PF<jats:sub>6<\/jats:sub>)<jats:sub>2<\/jats:sub>, [<jats:bold>1<\/jats:bold>\u2010(P(OMe)<jats:sub>3<\/jats:sub>)<jats:sub>2<\/jats:sub>](PF<jats:sub>6<\/jats:sub>)<jats:sub>2<\/jats:sub> and [<jats:bold>1<\/jats:bold>\u2010(RNC)<jats:sub>4<\/jats:sub>](PF<jats:sub>6<\/jats:sub>)<jats:sub>2<\/jats:sub> (R=<jats:italic>tert\u2010<\/jats:italic>butyl, xylyl), have been prepared and characterized by IR and NMR spectroscopies and, except [<jats:bold>1<\/jats:bold>\u2010MeCN](PF<jats:sub>6<\/jats:sub>)<jats:sub>2<\/jats:sub>, by X\u2010ray diffraction analysis. The crystallographic structures of the new Fe<jats:sup>II<\/jats:sup>Fe<jats:sup>II<\/jats:sup> complexes reveal that the association of one additional ligand (P(OMe)<jats:sub>3<\/jats:sub> or RNC) occurs and, according to the nature of the substrates, further substitutions of one or three carbonyl groups, by P(OMe)<jats:sub>3<\/jats:sub> or RNC, respectively, arise. Density functional theory (DFT) calculations have been performed to elucidate and discriminate, in each case, the mechanisms leading to the corresponding oxidized species. Moreover, the different degree of ligand substitution in the diiron core has been theoretically rationalized.<\/jats:p>","DOI":"10.1002\/chem.201802980","type":"journal-article","created":{"date-parts":[[2018,7,16]],"date-time":"2018-07-16T12:36:02Z","timestamp":1531744562000},"page":"15036-15051","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":20,"title":["Electrochemical and Theoretical Investigations of the Oxidatively Induced Reactivity of the Complex [Fe<sub>2<\/sub>(CO)<sub>4<\/sub>(\u03ba<sup>2<\/sup>\u2010dmpe)(\u03bc\u2010adt<sup>Bn<\/sup>)] Related to the Active Site of [FeFe] Hydrogenases"],"prefix":"10.1002","volume":"24","author":[{"given":"Federica","family":"Arrigoni","sequence":"first","affiliation":[{"name":"Department of Biotechnology and Bioscience University of Milano-Bicocca  Piazza della Scienza 2 20126 Milan 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