Highest Recorded N–O Stretching Frequency for 6‑Coordinate {Fe-NO}7 Complexes: An Iron Nitrosyl Model for His3 Active Sites
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We report the synthesis, structure, and reactivity of [Fe(T1Et4iPrIP)(OTf)2] [1; T1Et4iPrIP = tris(1-ethyl-4-isopropylimidazolyl)phosphine]. Compound 1 reacts reversibly with nitric oxide to afford [Fe(T1Et4iPrIP)(NO)(THF)(OTf)](OTf) (2), which is the first example of a 6-coordinate {FeNO}7 S = 3/2 complex containing a linear Fe–N–O group. 2 exhibits the highest ν(NO) for compounds in this class. Density functional theory studies reveal an enhanced degree of β-electron transfer from π*(NO) to the Fe d orbitals accounting for the large stretching frequency.
创建时间：
2016-02-17
