期刊
INORGANIC CHEMISTRY
卷 50, 期 21, 页码 10648-10659出版社
AMER CHEMICAL SOC
DOI: 10.1021/ic200992z
关键词
-
资金
- Spanish MICINN [FIS2008-02238]
- Generalitat de Catalunya [2009SGR1041, XRQTC]
- Thailand Research Fund [BRG5280012]
- Royal Golden Jubilee Ph.D. Program [PHD/0234/2550]
- Higher Education Research Promotion and National Research University of Thailand
- Office of the Higher Education Commission, through the Advanced Functional Materials Cluster of Khon Kaen University
- Center of Excellence for Innovation in Chemistry (PERCH-CC), Commission on Higher Education, Ministry of Education
Five new triply bridged dinuclear Cu(II) compounds have been synthesized, and their magnetic properties have been measured and characterized. The magnetic coupling constants (J) of these compounds plus a previously structurally characterized compound of the same type have been derived by appropriate fitting of the experimentally measured molar susceptibility variation with the temperature. Two of the compounds are ferromagnetically coupled, and three are antiferromagnetically coupled with J values in the [+150, - 40] cm(-1) range. The validity of the structural aggregate Addison's parameter as a qualitative magneto-structural correlation is confirmed. The origin of the magnetic interactions and the magnitude of the magnetic coupling have been analyzed by means of density functional theory-based calculations using a variety of state of the art exchange-correlation potentials. It is shown that the long-range separated LC-omega PBE provides the overall best agreement with experiment for this family as well as for a set of previously reported hetero triply bridged dinuclear Cu(II) compounds, especially for ferromagnetic systems.
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