期刊
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
卷 -, 期 34, 页码 5373-5378出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/ejic.201001033
关键词
Exchange interactions; Radicals; Ab initio calculations; Copper
资金
- ANR [ANR-07-JCJC-0045-0]
- Spanish Ministerio de Ciencia e Innovacion (MCINN) [CTQ2009-07767]
- Ministere de l'Enseignement Superieur et de la Recherche (MESR)
- Agence Nationale de la Recherche (ANR) [ANR-07-JCJC-0045] Funding Source: Agence Nationale de la Recherche (ANR)
The synthesis, structure and magnetic properties of the first thiooxoverdazyl metal complex [Cu(hfac)(2)(Svdpy)] [hfac = (1,1,1,5,5,5)-hexafluoroacetylacetonate; Svdpy = 1,5-dimethyl-3-(2-pyridyl)-6-thiooxoverdazyl] is described. The organic radical acts as a bidentate ligand leading to a six-coordinate metal complex. The fit of the thermal variations of the magnetic susceptibility reveal a ferromagnetic intramolecular exchange interaction. This finding is confirmed and analysed by using wavefunction-based methods which indicate that the exchange interaction is governed by the substituent of the radical rather than by its heteroatom.
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