We report the synthesis of Fe(TalkylP)(OClO3)] (alkyl = ethyl and propyl) and [Fe(TPrP)(THF)2]ClO4 , which are characterized by UV-vis, EPR, X-ray crystallography, and solid-state magnetic susceptibilities. The macrocycles of all three complexes are ruffled, all of the structural features for [Fe(TEtP(OClO3)] and [Fe(TPrP)(OClO3)] are characteristic of the nearly pure S = 3/2 state, while the structural parameters for [Fe(TPrP)(THF)2]ClO4 feature a pure intermediate-spin (S = 3/2) state, which are all consistent with EPR and magnetic data. It is clear from these studies that the ruffled conformation plays a significant role in affecting the extent of S = 3/2 character.

中文翻译：

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褶皱卟啉环对电子结构的影响：[Fe(T烷基P)(OClO3)]和[Fe(TPrP)(THF)2]ClO4（烷基=乙基、Et和正丙基、Pr）的结构和表征

我们报道了Fe(T烷基P)(OClO)的合成3)]（烷基 = 乙基和丙基）和 [Fe(TPrP)(THF)2]二氧化氯4，其特征在于 UV-vis、EPR、X 射线晶体学和固态磁化率。所有三种配合物的大环都是褶皱的，[Fe(TEtP(OClO3)] 和 [Fe(TPrP)(OClO3)] 是近纯 S = 3/2 态的特征，而 [Fe(TPrP)(THF) 的结构参数2]二氧化氯4具有纯中间自旋（S = 3/2）态，这与 EPR 和磁数据一致。从这些研究中可以清楚地看出，褶皱构象在影响 S = 3/2 特征的程度方面起着重要作用。