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Syntheses, crystal structures, and physical properties of new cyanamides and carbodiimides of the magnetic 3d transition metals

磁性 3d 过渡金属的新型氰胺和碳二亚胺的合成、晶体结构和物理性质

基本信息

批准号：
13593626
负责人：
Professor Dr. Richard Dronskowski
金额：
--
依托单位：
Lehrstuhl für Festkörper- und Quantenchemie
依托单位国家：
德国
项目类别：
Research Grants
财政年份：
2005
资助国家：
德国
起止时间：
2004-12-31 至 2012-12-31
项目状态：
已结题

来源：
https://gepris.dfg.de/gepris/projekt/13593626?language=en
关键词：
Syntheses crystal structures physical properties

项目摘要

The general synthetic purpose of this project is to combine paramagnetic transition-metal atoms with a bidentate bridging ligand to form extended magnetic solid-state networks. In particular, new synthetic as well as structure-analytical results are sought for in the fields of extended cyanamide and carbodiimide compounds (incorporating NCN2- building blocks) of the magnetic 3d transition metals; the chemistry of these promising and thermodynamically unstable¿but inert¿solid-state materials is largely unknown but one may expect novel physical (magnetic) properties due to the presence of 3d electrons on the transition metals in combination with the electronic/chemical functionality of the NCN2- bidentate group. We will first extend our present synthetic experience using two recently developed routes to further discover new transition metal-cyanamides and carbodiimides, characterize them using X-ray and neutron diffraction methods, measure their magnetic and thermodynamic properties, and rationalize their compositions and properties by means of electronic-structure calculations of density-functional type. Cyanamides and carbodiimides of higher complexities containing either combinations of different transition metals or between rare-earth and transition metals will also be synthesized. In short, the exploratory synthesis of new NCN2- based materials of the 3d transition metals, their structure elucidation, magnetic and thermodynamic characterization and also electronic-structure calculation will greatly extend our basic knowledge of a new class of materials.

本计画的主要目的是将顺磁性过渡金属原子与双齿桥联配体结合，以形成延伸的磁性固态网络。特别是，新的合成以及结构分析的结果，寻求在扩展的氰胺和碳二亚胺化合物的领域磁性3d过渡金属的（结合NCN 2-构建块）;这些有前途的和化学不稳定的但惰性的化学固态材料在很大程度上是未知的，但人们可能会期待新的物理材料由于在过渡金属上存在3d电子与NCN 2-双齿基团的电子/化学官能度的组合，因此具有（磁性）性质。我们将首先扩展我们目前的合成经验，使用两个最近开发的路线，以进一步发现新的过渡金属-氰胺和N-二甲酰亚胺，用X射线和中子衍射方法表征它们，测量它们的磁性和热力学性质，并合理化它们的组成和性质通过密度功能型的电子结构计算。还将合成含有不同过渡金属或稀土和过渡金属之间的组合的更高复杂性的氰胺和N-异丙基酰亚胺。总之，3d过渡金属的新的NCN 2基材料的探索性合成、它们的结构解析、磁性和热力学表征以及电子结构计算将极大地扩展我们对一类新材料的基础知识。