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

硼硫酸盐是含有阴离子的类似硅酸盐的化合物，其包含与四面体或三角平面硼酸根离子共价结合的硫酸盐四面体。在化学上，它们的行为与相对彻底研究的硼磷酸盐相似。迄今为止发表的第一批约80个晶体实例证实了与硅酸盐结构的强烈相似性。由于几个原因，这种硅酸盐类似化合物是令人感兴趣的。它们开辟了一个伟大的和本身非常有趣的结构化学，这些新的化合物提供了许多主题的结构-性能关系的调查。我们的重点在于寻找适合于白色发光二极管、荧光管、测温或作为发光器件的新型发光化合物。此外，我们认为合适的候选人，可能会采用激光器倍频的非线性光学特性。在这里，特别是化合物是有趣的，显示出大的带隙，这是硼硫酸盐的情况。其他性质，如酸碱行为以及催化性能也将被考虑。在这个项目中，我们继续系统和探索性的研究结晶硼硫酸盐的新化合物类。在本项目中，我们将重点关注掺杂有外部和内部过渡金属离子（d和f元素）的代表。除了发现新的结构特征外，我们还期待着一种非常丰富的晶体化学;在这种结构中，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促进了这一点。我们期望更深入地了解硼硫酸盐的协调行为，如配体场效应和nephelauxetic效应，这将有助于基础研究以及未来可能的应用。我们将有系统地使用单晶X射线衍射进行结构测定。我们将检查合成样品的纯度，并通过粉末X射线衍射鉴定新化合物。我们还将使用衍射方法和经典的热分析（如DTA/TG）来验证新化合物的热行为。我们通过理论计算支持的光学光谱（荧光和紫外-可见光谱）来检查光学性质。合适的化合物将在非线性光学特性方面进行仔细检查。特别是对非晶粉末样品，我们计划硼m。a. S. n. M. R.用于确定局部结构的测量。此外，我们计划磁测量的价态和可能的磁排序的识别。

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.