Secondary Coordination Sphere Influence on the Reactivity of Nonheme Iron(II) Complexes: An Experimental and DFT Approach
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https://figshare.com/articles/dataset/Secondary_Coordination_Sphere_Influence_on_the_Reactivity_of_Nonheme_Iron_II_Complexes_An_Experimental_and_DFT_Approach/2024649
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资源简介:
The new biomimetic ligands N4Py2Ph (1) and N4Py2Ph,amide (2) were synthesized and yield the iron(II) complexes [FeII(N4Py2Ph)(NCCH3)](BF4)2 (3) and [FeII(N4Py2Ph,amide)](BF4)2 (5). Controlled orientation of
the Ph substituents in 3 leads to facile triplet spin
reactivity for a putative FeIV(O) intermediate, resulting
in rapid arene hydroxylation. Addition of a peripheral amide substituent
within hydrogen-bond distance of the iron first coordination sphere
leads to stabilization of a high-spin FeIIIOOR species
which decays without arene hydroxylation. These results provide new
insights regarding the impact of secondary coordination sphere effects
at nonheme iron centers.
创建时间:
2015-12-16



