期刊
DALTON TRANSACTIONS
卷 41, 期 44, 页码 13705-13710出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c2dt31411h
关键词
-
资金
- Spanish MINECO [MAT2011-22785, MAT2007-61584]
- Spanish MINECO (CONSOLIDER project on Molecular Nanoscience)
- EU (Project ELFOS)
- EU (ERC Advanced Grant SPINMOL)
- Generalidad Valenciana (Prometeo programme)
- Generalidad Valenciana (ISIC excellence programme)
- project ELFOS
- Spanish MECD
Herein, we present two geometrical models based on an effective point-charge approach to provide a full description of the lowest sublevels in lanthanoid single ion magnets (SIMs). The first one, named as the Radial Effective Charge (REC) model, evaluates the crystal field effect of spherical ligands, e. g. F-, Cl- or Br-, by placing the effective charge along the Ln-ligand axes. In this case the REC parameters are obtained fitting high-resolution spectroscopic data for lanthanoid halides. The second model, named as the Lone Pair Effective Charge (LPEC) model, has been developed in order to provide a realistic description of systems in which the lone pairs are not pointing directly towards the magnetic ion. A relevant example of this kind is provided by the bis(phthalocyaninato)lanthanoids [Ln(Pc)(2)](-). We show that a fit of the magnetic properties of the [Ln(Pc)(2)](-)(Ln = Tb, Dy, Ho, Er, Tm and Yb) allows us to extract the LPEC parameters for the lanthanoid complexes coordinated to sp(2)-nitrogens. Finally, we show that these effective corrections may be extrapolated to a large variety of lanthanoid and actinoid compounds, having either extended or molecular structures.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据