Borosulphates as Host Structures for Luminescent Materials and for Non-Linear Optical Properties

硼硫酸盐作为发光材料和非线性光学特性的主体结构

• 批准号: 338584357
• 负责人: Professor Dr. Henning Höppe
• 金额: --
• 依托单位: Lehrstuhl für Festkörperchemie
• 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/338584357?language=en
• 关键词: Borosulphates; Host; Structures; Luminescent; Materials

Borosulphates are silicate-analogous compounds containing anions, which comprise sulphate tetrahedra bound covalently to tetrahedral or trigonal planar borate ions. Chemically these behave like the relatively thoroughly investigated Borophosphates. The first approximately eighty crystalline examples published so far, confirm the strong similarity to silicate structures. Such silicate-analogous compounds are interesting for several reasons. They open a great and per se highly interesting structural chemistry, and these novel compounds provide many topics for the investigation of structure-property relations. Our focus lies in the search for new luminescent compounds suited for white light emitting diodes, phosphor tubes, thermometry or as scintillators. Moreover, we consider non-linear-optical properties of suited candidates which might be employed in lasers for frequency doubling. Here, especially compounds are interesting showing large bandgaps which is the case for borosulphates. Other properties like acid-base behaviour as well as catalytic properties will be considered, too.In this project we continue the systematic and explorative investigation of the novel compound class of crystalline borosulphates. In this project we will focus on representatives doped with outer and inner transition metal ions (d and f elements). We expect besides the discovery of new structural features an extraordinarily rich crystal chemistry; in such structures the probability grows that these lack inversion symmetry and thus show non-linear optical properties – borates and tetrahedral units foster that. We expect deeper insight in the coordination behaviour of borosulphates, such as ligand-field effects and the nephelauxetic effect; this will be helpful for basic research as well as for possible future applications. Methodically we will use the single-crystal x-ray diffraction for the structure determination. The purity of our synthesised samples will be checked and new compounds will be identified by powder x-ray diffraction. We will additionally characterise the thermal behaviour of the new compounds using diffractions methods and classic thermal analysis like DTA/TG. We examine the optical properties by optical spectroscopy (fluorescence and UV-Vis-spectroscopy) supported by theoretical calculations. Suited compounds will be scrutinised regarding non-linear-optical properties. Especially on amorphous powder samples we plan boron m. a. s. n. m. r. measurements for the determination of the local structure. Moreover, we plan magnetic measurements for the identification of valence states and possible magnetic ordering.

硼硫酸盐是一种含有阴离子的硅酸盐类似化合物，它由硫酸盐四面体组成，与四面体或三角平面硼酸盐离子共价键合。在化学上，这些化合物的行为类似于相对彻底研究过的硼磷酸盐。到目前为止发表的第一批大约80个结晶样品证实了它与硅酸盐结构的强烈相似性。这种类似硅酸盐的化合物之所以令人感兴趣，有几个原因。它们开启了一个伟大的、本身就非常有趣的结构化学，这些新的化合物为结构-性质关系的研究提供了许多主题。我们的重点在于寻找新的发光化合物，适用于白光发光二极管、荧光管、测温或作为闪烁体。此外，我们考虑了合适的候选者的非线性光学性质，这些性质可能被用于激光器的倍频。这里，特别是化合物显示出很大的带隙，这就是硼硫酸盐的情况。其他性质，如酸碱行为以及催化性质也将被考虑。在这个项目中，我们继续系统和探索性地研究新型化合物类结晶硼硫酸盐。在这个项目中，我们将重点研究外、内过渡金属离子(d和f元素)掺杂的样品。我们预计，除了发现新的结构特征外，还有一种异常丰富的晶体化学；在这样的结构中，这些结构缺乏反转对称性的可能性增加，从而显示出非线性光学性质--硼酸盐和四面体单元助长了这一点。我们期望对硼硫酸盐的配位行为有更深入的了解，如配位场效应和云延伸效应，这将有助于基础研究以及未来可能的应用。我们将有条不紊地使用单晶X射线衍射法进行结构测定。我们将检查合成样品的纯度，并通过粉末X射线衍射法鉴定新化合物。此外，我们还将使用衍射法和DTA/TG等经典热分析方法来表征新化合物的热行为。我们用理论计算支持的光学光谱(荧光光谱和紫外可见光谱)研究了它们的光学性质。我们将仔细研究合适的化合物的非线性光学性质。特别是在非晶态粉末样品上，我们计划用B M。A。S。核磁共振测量来确定局域结构。此外，我们计划进行磁测量以识别价态和可能的磁序。