Antiferromagnetic behavior based on quasi-orthogonal MOs: synthesis and charaterization of a Cu3 oxidase model.
Inorg Chem
; 47(2): 572-7, 2008 Jan 21.
Article
em En
| MEDLINE
| ID: mdl-18085775
ABSTRACT
We report the synthesis and structural and magnetic characterization of an original Cu(3) oxidase model. The Schiff base ligand used in the synthesis derives from condensation of acetylacetone with glycine amino acid. The K[Cu(3)(L)(3)(micro(3)-OH)].(H(2)O)(2) complex crystallizes at room temperature in the tetragonal P43212 space group with a = 20.540(3) A and c = 15.866(6) A and consists of triangular Cu(3) units. The magnetic behavior interpretation suggests the presence of spin frustration, which has been investigated by means of ab initio DDCI calculations. It is shown that the system should be viewed as a "ménage à trois" spin-coupled pattern mediated by a central hydroxo group, lifting the doublet degeneracy by approximately 8 cm-1.
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01-internacional
Base de dados:
MEDLINE
Assunto principal:
Oxirredutases
/
Modelos Moleculares
/
Ferro
/
Magnetismo
Idioma:
En
Revista:
Inorg Chem
Ano de publicação:
2008
Tipo de documento:
Article
País de afiliação:
França