Theoretical search for new ferromagnetically coupled transition metal complexes

被引：75

作者：

Ruiz, E

Alvarez, S

Alemany, P

机构：

[1] Univ Barcelona, Dept Quim Inorgan, E-08028 Barcelona, Spain

[2] Univ Barcelona, Dept Quim Fis, E-08028 Barcelona, Spain

来源：

CHEMICAL COMMUNICATIONS | 1998年 / 24期

关键词：

D O I：

10.1039/a807973k

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Computational methods based on the density functional theory have been employed in the search for new ferromagnetic molecules and several compounds are predicted to exhibit stronger ferromagnetic coupling than the known hydroxo-bridged complexes, especially remarkable is the very strong coupling predicted for ore-bridged Cu(II) or Ni(II) dimers.

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收藏

页码：2767 / 2768

页数：2

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