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The organometallic complex was fully characterized by a combination of spectroscopic methods, X-ray crystallography, and density functional theory (DFT) calculations. All of these techniques support the description of the electronic structure of this phenyl\u2013iron derivative as a low-spin iron(IV) coordinated to a closed-shell corrolate trianion and to a phenyl monoanion. Complete assignments of the 1H and 13C NMR spectra of the phenyl\u2013iron derivative and the starting chloro\u2013iron complex were performed on the basis of the NMR spectra of the regioselectively \u03b2-substituted bromo derivatives and the DFT calculations.<\/jats:p>","DOI":"10.1021\/ic5003572","type":"journal-article","created":{"date-parts":[[2014,4,3]],"date-time":"2014-04-03T12:56:14Z","timestamp":1396529774000},"page":"4215-4227","source":"Crossref","is-referenced-by-count":28,"title":["Phenyl Derivative of Iron 5,10,15-Tritolylcorrole"],"prefix":"10.1021","volume":"53","author":[{"given":"Sara","family":"Nardis","sequence":"first","affiliation":[{"name":"Universita\u0300 di Roma Tor Vergata , , ,","place":["Roma, Italy, 00133"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Daniel O.","family":"Cicero","sequence":"additional","affiliation":[{"name":"Universita\u0300 di Roma Tor Vergata , , ,","place":["Roma, Italy, 00133"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Silvia","family":"Licoccia","sequence":"additional","affiliation":[{"name":"Universita\u0300 di Roma Tor Vergata , , ,","place":["Roma, Italy, 00133"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Giuseppe","family":"Pomarico","sequence":"additional","affiliation":[{"name":"Universita\u0300 di Roma Tor Vergata , , ,","place":["Roma, Italy, 00133"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Beatrice","family":"Berionni Berna","sequence":"additional","affiliation":[{"name":"Universita\u0300 di Roma Tor Vergata , , ,","place":["Roma, Italy, 00133"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Marco","family":"Sette","sequence":"additional","affiliation":[{"name":"Universita\u0300 di Roma Tor Vergata , , ,","place":["Roma, Italy, 00133"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Giampaolo","family":"Ricciardi","sequence":"additional","affiliation":[{"name":"Universita\u0300 della Basilicata , , ,","place":["Potenza, Italy, 85100"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Angela","family":"Rosa","sequence":"additional","affiliation":[{"name":"Universita\u0300 della Basilicata , , ,","place":["Potenza, Italy, 85100"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Frank R.","family":"Fronczek","sequence":"additional","affiliation":[{"name":"Louisiana State University , , , ,","place":["Baton Rouge, Louisiana, United States, 70803"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Kevin M.","family":"Smith","sequence":"additional","affiliation":[{"name":"Louisiana State University , , , ,","place":["Baton Rouge, Louisiana, United States, 70803"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Roberto","family":"Paolesse","sequence":"additional","affiliation":[{"name":"Universita\u0300 di Roma Tor Vergata , , ,","place":["Roma, Italy, 00133"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2014,4,3]]},"reference":[{"key":"2026090313041301600_cit1","doi-asserted-by":"crossref","first-page":"1620","DOI":"10.1039\/jr9650001620","author":"Johnson","year":"1965","journal-title":"J. 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