Structure Determinations of Tris(pentafluoroethyl)gallane and -indane Dihydrate, [Ga(C2F5)3(OH2)2] and [In(C2F5)3(OH2)2], in the Solid and Gaseous Phases

固相和气相三(五氟乙基)镓烷和茚满二水合物 [Ga(C2F5)3(OH2)2] 和 [In(C2F5)3(OH2)2] 的结构测定

• 批准号: 496346113
• 负责人: Professor Dr. Berthold Hoge
• 金额: --
• 依托单位: Arbeitsgruppe Anorganische Chemie II
• 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/496346113?language=en
• 关键词: Structure; Determinations; Tris; pentafluoroethyl; gallane

With this small project we propose to study the structures of tris(pentafluoroethyl)gallane and -indane dihydrate, [Ga(C2F5)3(OH2)2] and [In(C2F5)3(OH2)2], in the gas phase by electron diffraction and in the solid state by X-ray diffraction on in situ-grown crystals. The underlying compounds tris(pentafluoroethyl)gallane and -indane are rare examples of Lewis acids that can be described as being superhard and supersoft at the same time. For this reason, the adduct formation of such systems is of particular interest. For tris(pentafluoroethyl)gallane dihydrate, we have already been able to show in preliminary experiments that it has sufficient volatility to be evaporated without decomposition and can thus be studied as a free molecule in the gas phase. We expect to obtain detailed information about the structures of these compounds, which will improve our understanding of their stability and reactivity and that of the underlying Lewis acids. By comparing gas and solid state structures, we will be able to distinguish typical inter- and intramolecular interactions in these systems. These experimental investigations will be accompanied by high-level quantum chemical methods. It should be noted that this also offers the possibility of obtaining structural data for free molecules of heavy elements, for which there are only few examples so far, especially with respect to the simultaneous availability of such data for the solid and gas phases; such data are valuable reference systems for quantum chemical methods, which are usually poorly referenced for heavy atoms. Sample preparation and purification will be carried out by Berthold Hoge's group, while the structural studies in gas and solid state will be performed at the core facility GED@BI (Centre for Gas Electron Diffraction and Small Molecule Structures) in Norbert Mitzel's group.

通过这个小项目，我们建议研究Tris（Pentafluoroethyl）Gallane和-Indane二水合物的结构，[GA（C2F5）3（OH2）2]和[IN（C2F5）3（OH2）2]，在X型射线差异上通过电子衍射和固态在固态中，在固态上，在X型差异上，在X型差异上进行X型差异。基础化合物Tris（五氟乙基）Gallane和-Indane是Lewis酸的罕见实例，可以同时被描述为超级智和超级固定。因此，这种系统的加合物形成特别令人感兴趣。对于Tris（五氟乙基）Gallane二水合物，我们已经能够在初步实验中表明它具有足够的挥发性，可以蒸发而无需分解，因此可以在气相中作为自由分子研究。我们希望获得有关这些化合物结构的详细信息，这将提高我们对它们的稳定性和反应性以及基础刘易斯酸的理解。通过比较气体和固态结构，我们将能够区分这些系统中典型的分子间和分子内相互作用。这些实验研究将伴随高级量子化学方法。应当指出的是，这还提供了获得重元素的自由分子的结构数据，到目前为止，只有很少的例子，尤其是在同时可用于实心和气相的同时可用性方面；此类数据是量子化学方法的有价值的参考系统，通常对沉重原子的引用很差。样品制备和纯化将由Berthold Hoge的组进行，而诺伯特·米策尔（Norbert Mitzel）组的核心设施GED@BI（气体电子衍射中心和小分子结构中心）将对气体和固态进行结构研究。