Electron Density Distributions of Pyrimidine Bridged Cu, Fe, and Co Complexes Showing Magnetic Properties

被引：0

作者：

Yasui, Masanori ^{[1
]}

Takayama, Ryo ^{[1
]}

Akiyama, Naoya ^{[1
]}

Hashizume, Daisuke ^{[1
]}

Iwasaki, Fujiko ^{[1
]}

机构：

[1] Department of Applied Physics and Chemistry, The University of Electro-Communications, Chofu, Tokyo,182-8585, Japan

来源：

Molecular Crystals and Liquid Crystals | 2002年 / 376卷 / 01期

关键词：

Antiferromagnetism - Aromatic compounds - Carrier concentration - Cobalt compounds - Complex networks - Complexation - Crystal atomic structure - Electron density measurement - Electrons - Iron compounds - X ray diffraction;

D O I：

10.1080/713738465

中图分类号：

学科分类号：

摘要：

Experimental electron density distributions of [Cu(NO 3) 2 (H 2 O) 2 (pm) 2] (1) and [MCl 2 (pm) 2] (2 :M=Co, 3 :M=Fe) (pm=pyrimidine) showing antiferromagnetic interactions were determined by the X-ray diffraction method using the multipole expansion refinement. In the crystal structures, the pyrimidine ligand bridges metal atoms to form one-dimensional chains in 1, and three-dimensional networks in 2 and 3. The electron populations in the d-orbitals calculated from the multipole population parameters revealed that the unpaired electrons are located in d x 2 −y 2 orbital for each complex. These results show that the strong interactions between the bridging ligand and the unpaired electrons cause the antiferromagnetic interactions mediated by the bridging ligands. © 2002, Copyright Taylor & Francis Group, LLC.

引用

页码：519 / 524