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
Liste, Güney Kore
Julio Lloret-Fillol Liste, Güney Kore
| Makale Türü |
Özgün Makale
(Uluslararası alan indekslerindeki dergilerde yayınlanan tam makale)
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| Dergi Adı | Inorganic Chemistry | ||
| Dergi ISSN | 0020-1669 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | |||
| Makale Dili | İngilizce | Basım Tarihi | 06-2014 |
| Kabul Tarihi | – | Yayınlanma Tarihi | 09-05-2014 |
| Cilt / Sayı / Sayfa | 53 / 11 / 5474–5485 | DOI | 10.1021/ic500108g |
| Makale Linki | https://pubs.acs.org/doi/abs/10.1021/ic500108g | ||
| UAK Araştırma Alanları |
Eğitim Bilimleri
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| 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 |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Google Scholar | 53 |