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
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
收藏
页码:7077 / 7082
页数:6
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