Reaction of an Iron(IV) Nitrido Complex with Cyclohexadienes: Cycloaddition and Hydrogen-Atom Abstraction
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https://figshare.com/articles/dataset/Reaction_of_an_Iron_IV_Nitrido_Complex_with_Cyclohexadienes_Cycloaddition_and_Hydrogen_Atom_Abstraction/2038077
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资源简介：
The
iron(IV) nitrido complex PhB(MesIm)3FeN reacts
with 1,3-cyclohexadiene to yield the iron(II) pyrrolide complex PhB(MesIm)3Fe(η5-C4H4N) in high
yield. The mechanism of product formation is proposed to involve sequential
[4 + 1] cycloaddition and retro Diels–Alder reactions. Surprisingly,
reaction with 1,4-cyclohexadiene yields the same iron-containing
product, albeit in substantially lower yield. The proposed reaction
mechanism, supported by electronic structure calculations, involves
hydrogen-atom abstraction from 1,4-cyclohexadiene to provide the cyclohexadienyl
radical. This radical is an intermediate in substrate isomerization
to 1,3-cyclohexadiene, leading to formation of the pyrrolide product.
创建时间：
2015-12-17
