Spin-crossover in an iron(III)-bispidine-alkylperoxide system

被引：44

作者：

Bautz, Jochen

Comba, Peter

Que, Lawrence, Jr.

机构：

[1] Heidelberg Univ, Inst Anorgan Chem, D-69120 Heidelberg, Germany

[2] Univ Minnesota, Dept Chem, Minneapolis, MN 55455 USA

[3] Univ Minnesota, Ctr Met Biocatalysis, Minneapolis, MN 55455 USA

来源：

INORGANIC CHEMISTRY | 2006年 / 45卷 / 18期

关键词：

D O I：

10.1021/ic0602401

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The iron(II) complex of a tetradentate bispidine ligand with two tertiary amines and two pyridine groups ( L) dimethyl [3,7-dimethyl-9,9'-dihydroxy-2,4-di-(2-pyridyl)-3,7-diazabicyclo nonan-1,5-dicaboxylate]) is oxidized with tertbutyl hydroperoxide to the corresponding end-on tert-butylperoxo complex [Fe-III(L)((OOBu)-Bu-t)(X)](n+) (X) solvent, anion). UV-vis, resonance Raman, and EPR spectroscopy, as a function of the solvent, show that this is a spin-crossover compound. The experimentally observed Raman vibrations for both low-spin and high-spin isomers are in good agreement with those computed by DFT.

引用

页码：7077 / 7082

页数：6

共 27 条

[21] Electronic structure of high-spin iron(III)-alkylperoxo complexes and its relation to low-spin analogues: Reaction coordinate of O-O bond homolysis [J].