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极化中子衍射方法常用于研究含未配对电子化合物中电子自旋密度的分布.分子中电子自旋密度分布从一个独特的角度反映化合物的磁性质.本文介绍极化中子衍射方法的背景知识和基本原理.包括中子源、中子和X射线衍射、极化中子衍射,以及一些常用的实验数据处理方法.选用几个实例总结了用极化中子衍射方法得到的电子自旋密度分布在无机和有机化学中的应用.通过单分子磁体[Fe8O2(OH)12(tacn)6]8+和氰基桥联化合物K2[Mn(H2O)2]3[Mo(CN)7]2·6H2O,说明如何用该方法研究金属原子间的磁相互作用;并通过Ru(acac)3这个只含一个未配对电子的化合物来说明如何获得化合物中金属和配体上小的自旋密度;最后介绍了该方法在nitronyl nitroxide自由基研究中的应用.
The polarized neutron diffraction method is often used to study the distribution of electron spin density in unpaired electron-containing compounds. The electronic spin-density distribution of the molecule reflects the magnetic properties of the compound from a unique perspective. This paper presents the background of the polarized neutron diffraction method Including neutron source, neutron and X-ray diffraction, polarized neutron diffraction, and some commonly used experimental data processing methods.We summarize several examples of electron spin obtained by the polarized neutron diffraction method Density distribution in inorganic and organic chemistry has been studied by using single molecule magnet [Fe8O2 (OH) 12 (tacn) 6] 8+ and cyano bridging compound K2 [Mn (H2O) 2] 3 [Mo (CN) 7] 2 · 6H 2 O to illustrate how this method can be used to study the magnetic interactions between metal atoms and how Ru (acac) 3, a compound containing only one unpaired electron, can be used to demonstrate how to obtain small spin-on-metal Finally, the application of this method in the study of free radicals of nitronyl nitroxide was introduced.