Rational synthesis planning, structure systematics and physical properties of rare earth metal polytellurides RETe2-x

稀土金属聚碲化物RETe2-x的合理合成规划、结构体系和物理性质

• 批准号: 339891727
• 负责人: Professor Dr. Thomas Doert
• 金额: --
• 依托单位: Professur für Anorganische Chemie II
• 依托单位国家: 德国
• 项目类别: Research Grants
• 财政年份: 2017
• 资助国家: 德国
• 起止时间: 2016-12-31 至 2020-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/339891727?language=en
• 关键词: Rational; synthesis; planning; structure; systematics

Based on thermal analysis and tensiometric studies and employing modeling calculations the phase equilibria, stability fields and precise chemical compositions of binary rare earth metal polytellurides RETe2-x (RE = Y, La - Lu; 0 < x <0.2) shall be examined In this project. The existence of polytellurides with different compositions of one and the same rare earth metal, i. e. different chalcogen defects shall be clarified. One issue is to shed light on compounds of the composition RE4Te7 which are quoted quite often in the older literature but for which no structural data are available. The polytelluride phases shall then be prepared based on a rational synthesis planning and appropriate parameters for the crystal growth shall be determined. The crystal structures of the polytellurides shall then be elucidated on single crystals. The structures will be systematized, and the chemical bonding, particularly in the polytelluride anions, will be investigated. In contrast to polysulfides and polyselenides of similar composition, the few known earth metal polytellurides of the compositions in question exhibit chalcogenide units with higher grades of condensation, resulting, e. g., in different electronic properties. The chemical bonding in the polytellurides, particularly in the polyanionic substructures are to be analyzed in detail, especially with position-space based methods. In addition magnetic and optical properties as well as electrical transport properties will be investigated.As results of the project, we expect significant contributions to the understanding of phase relationships and decomposition mechanisms of earth metal polytellurides RETe2-x, to their structural classification and to chemical and physical properties and, last but not least, to the chemical bonding in this class of compounds

本项目在热分析和张力研究的基础上，采用模拟计算方法，研究了二元稀土金属多碲化物RETe_（2-x）（RE = Y，La-Lu; 0 < x <0.2）的相平衡、稳定场和精确的化学成分。同一稀土金属存在不同组成的多碲化物，即碲化物。e.不同的硫属元素缺陷将被澄清。一个问题是阐明组成RE 4 Te 7的化合物，其在旧文献中经常被引用，但没有结构数据。然后应根据合理的合成计划制备多碲化物相，并确定晶体生长的适当参数。然后在单晶上阐明多碲化物的晶体结构。结构将被系统化，化学键合，特别是在聚碲阴离子，将被调查。与类似组成的多硫化物和多硒化物相比，所讨论的组成的少数已知的土金属多碲化物表现出具有更高等级的缩合的硫属化物单元，从而导致，e.例如，在一个实施例中，不同的电子性质。在聚碲化物，特别是在聚阴离子的子结构的化学键进行了详细的分析，特别是与位置空间为基础的方法。此外，本项目还将研究稀土金属多碲化物RETe 2-x的磁性、光学和电输运性质，以期对理解稀土金属多碲化物RETe 2-x的相关系和分解机制、结构分类、化学和物理性质以及该类化合物中的化学键等方面做出重要贡献

项目成果

Rare Earth Metal PolytelluridesRETe1.8(RE= Gd, Tb, Dy) - Directed Synthesis, Crystal and Electronic Structures, and Bonding Features

稀土金属聚碲化物RETe1 8(RE= Gd, Tb, Dy) - 定向合成、晶体和电子结构以及键合特性

• DOI: 10.1002/zaac.201800382
• 发表时间: 2018
• 期刊: Zeitschrift für anorganische und allgemeine Chemie
• 作者: H. Poddig;T. Donath;P. Gebauer;K. Finzel;M. Kohout;P. Schmidt;Th. Doert
• 通讯作者: Th. Doert

Structural Variations and Bonding Analysis of the Rare-Earth Metal Tellurides RETe1.875±δ (RE = Ce, Pr, Sm, Gd; 0.004 ≤ δ ≤ 0.025).

稀土金属碲化物 RETe1 875±δ 的结构变化和成键分析 (RE = Ce, Pr, Sm, Gd; 0 004 ≤ δ ≤ 0 025)

• DOI: 10.1021/acs.inorgchem.1c01230
• 发表时间: 2021
• 期刊: Inorganic chemistry
• 影响因子: 4.6
• 作者: H. Poddig;P. Gebauer;K. Finzel;K. Stöwe;Th. Doert
• 通讯作者: Th. Doert

Polytelluride anions in deficient RETe2−δ structures – superstructures and bonding analysis

缺陷 RETe2âδ 结构中的聚碲化物阴离子 â 上部结构和键合分析

• DOI: 10.1107/s0108767321092886
• 发表时间: 2021
• 期刊: Acta Crystallographica Section A Foundations and Advances
• 作者: H. Poddig;K. Finzel;T. Doert
• 通讯作者: T. Doert

Distorted Te nets in the modulated crystal structures of RETe1.94(1) (RE = La, Pr, Nd).

RETe1 94(1) 调制晶体结构中扭曲的 Te 网（RE = La、Pr、Nd）

• DOI: 10.1107/s2052520620013797
• 发表时间: 2020
• 期刊: Acta crystallographica Section B, Structural science, crystal engineering and materials
• 作者: H. Poddig;Th. Doert
• 通讯作者: Th. Doert

LaTe1.82(1): modulated crystal structure and chemical bonding of a chalcogen-deficient rare earth metal polytelluride1

LaTe1 82(1)：硫属元素不足的稀土金属聚碲化物的调制晶体结构和化学键合1

• DOI: 10.1107/s2053229620005094
• 发表时间: 2020
• 期刊: Acta Crystallographica. Section C, Structural Chemistry
• 作者: H. Poddig;K. Finzel;Th. Doert
• 通讯作者: Th. Doert