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• W2003278853 abstract "Three pathways for the reaction of bispidine-iron(II) complexes (where bispidine is a rigid tetradentate amine/pyridine ligand) with H2O2 have been studied by DFT calculations. For all oxidation states the high-spin and low-spin (intermediate-spin) forms have been optimized, and the computed data have been compared with the readily available experimental results. It is concluded that there is a direct conversion of the bispidine-iron(II)-hydrogen peroxide complex to the corresponding iron(IV)-dihydroxo compound, which is a novel possible oxidant for the dihydroxylation of olefins." @default.
• W2003278853 created "2016-06-24" @default.
• W2003278853 creator A5018905339 @default.
• W2003278853 creator A5054818199 @default.
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• W2003278853 date "2007-04-11" @default.
• W2003278853 modified "2023-10-17" @default.
• W2003278853 title "A Density Functional Theory Study of the Reaction of the Biomimetic Iron(II) Complex of a Tetradentate Bispidine Ligand with H₂O₂" @default.
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• W2003278853 doi "https://doi.org/10.1021/ic061129y" @default.
• W2003278853 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/17425302" @default.
• W2003278853 hasPublicationYear "2007" @default.
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