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Theoretical Study of the Water Oxidation Mechanism with Non-heme Fe(Pytacn) Iron Complexes. Evidence That the FeIV(O)(Pytacn) Species Cannot React with ...  
Yazarlar (4)
Ferran Acuna-Pares
Liste, Amerika Birleşik Devletleri
Miquel Costas
Liste, Güney Kore
Josep M Luis
Liste, Güney Kore
Julio Lloret-Fillol
Liste, Güney Kore
Devamını Göster
Özet
Recent studies have shown that non-heme iron complexes [Fe(LN4)X2], where LN4 stands for a tetradentate nitrogen based aminopyridine ligand (LN4 = Pytacn, mcp or mep, Pytacn = 1-(2-pyridylmethyl)-4,7-dimethyl-1,4,7-triazacyclononane, mcp = N,N′-dimethyl-N,N′-bis(2-pyridylmethyl)cyclohexane-trans-1,2-diamine, mep = N,N′-dimethyl-N,N′-bis(2-pyridylmethyl)ethylendiamine), and X are monodentate ligands (X = Cl, CH3CN, CF3SO3--, or H2O), catalyze the oxidation of water using cerium(IV) ammonium nitrate (CAN) as oxidant. Spectroscopic monitoring of catalytic water oxidation with [Fe(CF3SO3)2(Pytacn)] established [FeIV(O)(OH2)(Pytacn)]2+ as an intermediate along the catalytic pathway, raising the question if these high valent species could be directly responsible for the O--O bond formation event. Herein, this question is addressed by a computational analysis of the thermodynamic and kinetic ...
Anahtar Kelimeler
Makale Türü Özgün Makale
Makale Alt Türü Uluslararası alan indekslerindeki dergilerde yayınlanan tam makale
Dergi Adı Inorganic Chemistry
Dergi Tarandığı Indeksler
Makale Dili İngilizce
Basım Tarihi 06-2014
Cilt No 53
Sayı 11
Sayfalar 5474 / 5485
BM Sürdürülebilir Kalkınma Amaçları
Atıf Sayıları
Google Scholar 51

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