Effect of the ruffled porphyrin ring on electronic structures: structure and characterization of [Fe(TalkylP)(OClO3)] and [Fe(TPrP)(THF)2]ClO4 (alkyl = Ethyl, Et and n-Propyl, Pr)

被引：1

作者：

Li, Ming ^{[1
]}

Oliver, Allen G. ^{[1
]}

Neal, Teresa J. ^{[1
]}

Schulz, Charles E. ^{[2
]}

Scheidt, W. Robert ^{[1
]}

机构：

[1] Univ Notre Dame, Dept Chem & Biochem, Notre Dame, IN 46556 USA

[2] Knox Coll, Dept Phys, Galesburg, IL 61401 USA

来源：

JOURNAL OF PORPHYRINS AND PHTHALOCYANINES | 2013年 / 17卷 / 1-2期

基金：

美国国家卫生研究院; 美国国家科学基金会;

关键词：

iron (III); intermadete spin; weak-field ligands; SPIN (MESO-TETRAALKYLPORPHYRINATO)IRON(III) COMPLEXES; SADDLE-SHAPED PORPHYRIN; MOLECULAR-STRUCTURE; FERRIC PORPHYRIN; CYTOCHROME-C; C-13; NMR; STATE; CRYSTAL; HEME; CONFIGURATION;

D O I：

10.1142/S1088424612501362

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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.

引用

页码：118 / 124

页数：7

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