Molecular metal siloxides as models for functional units of oxidic frameworks and surfaces

分子金属硅氧化物作为氧化骨架和表面功能单元的模型

• 批准号: 439279302
• 负责人: Professor Dr. Christian Limberg
• 金额: --
• 依托单位: Arbeitsgruppe Koordinationschemie / Katalyse
• 依托单位国家: 德国
• 项目类别: Research Grants
• 资助国家: 德国
• 项目状态: 未结题
• 来源: https://gepris.dfg.de/gepris/projekt/439279302?language=en
• 关键词: Molecular; metal; siloxides; models; functional

The target of this project is the synthesis and investigation of molecular compounds, which can mimic structural units occurring on the surfaces of oxides with high abundance and application relevance; concretely, aluminium oxides/hydroxides, iron oxides and aluminosilicates are in the focus, in case of the aluminosilicates special attention is on metal-modified variants. The siloxide ligands used for the construction of the molecules will suit the trapping and stabilization of oxide/hydroxide aggregates as well as the simulation of silicate environments. The investigation of such compounds on the one hand is supposed to contribute to a fundamental, atomic-scale understanding of the behavior of corresponding units, for instance in contact with water. Water is ubiquitous during the synthesis, dissolution and application of the mentioned materials and the elucidation of the corresponding mechanisms is of basic significance. On the other hand it is envisaged to make functional units, which exhibit interesting reactivities as part of silicate materials (in particular metal-modified zeolites), accessible and utilizable for chemical investigations and applications in solution. Subsequent to the development of corresponding surface-inspired molecules the potential to activate dioxygen or O-atom transfer reagents will be tested to finally achieve the oxyfunctionalisation of hydrocarbons; accordingly, a further goal is the development of novel functional molecules. In case of zeolite-like reactivities the application of the methods inherent to molecular chemistry can also reveal mechanistic information that advances the understanding of reactivities observed in case of the solid-state materials. According to the selection of materials chosen as guides for molecular synthesis the project will deal with aluminium, copper, nickel, and iron siloxides.

该项目的目标是合成和研究分子化合物，它可以模拟出现在具有高丰度和应用相关性的氧化物表面的结构单元；具体来说，氧化铝/氢氧化物、铁氧化物和铝硅酸盐是重点，对于铝硅酸盐来说，特别关注金属修饰的变体。用于构建分子的硅氧化物配体将适合于捕捉和稳定氧化物/氢氧化物聚集体以及模拟硅酸盐环境。一方面，对这类化合物的研究应该有助于对相应单元的行为有一个基本的、原子尺度的理解，例如与水接触。在上述材料的合成、溶解和应用过程中，水是普遍存在的，阐明相应的机理具有基础性意义。另一方面，设想使作为硅酸盐材料(特别是金属改性沸石)的一部分表现出有趣的反应性的功能单元可访问并可用于化学研究和溶液中的应用。随着相应的表面激发分子的开发，将测试激活氧或氧原子转移试剂的潜力，以最终实现碳氢化合物的氧官能化；相应地，进一步的目标是开发新的功能分子。在沸石类反应性的情况下，应用分子化学固有的方法也可以揭示机理信息，促进对固体材料中观察到的反应性的理解。根据选择的作为分子合成指南的材料，该项目将处理铝、铜、镍和铁的硅氧化物。