Increasing the complexity in breathing metal-organic frameworks using organic building units with conformational flexibility

该项目旨在合成新的金属有机框架（MOFs），其中包含本质上灵活的有机建筑单元。因此，预期所获得的骨架化合物表现出可逆的结构变化。最适合于此目的的有机结构单元是链烷二酸及其官能化衍生物、也含有芳族苯核的部分脂族二羧酸和二茂铁二羧酸。最重要的结构表征方法是X射线粉末衍射。虽然预期会发现新的化合物，但也预期将获得基于刚性接头分子的众所周知的M0F的脂肪族类似物。在这种情况下，柔性单元对化合物性能的影响可以通过与刚性单元的比较直接推断出来。因此，所研究的化合物的灵活性取决于外部刺激，如压力，温度和客体分子也将通过X射线粉末衍射研究。新的MOF的预期结构灵活性将与基于刚性有机结构单元的相关化合物进行比较。将使用同步辐射和金刚石对顶砧进行压力相关衍射实验。此外，从溶液中吸附客体分子时的相变，特别是它们的动力学将使用同步辐射原位研究。

This project aims at the synthesis of new metal-organic frameworks (MOFs) incorporating intrinsically flexible organic building units. Therefore the obtained framework compounds are expected to exhibit reversible structural changes. The organic building units best suited for this purpose are alkanedioic acids and their functionalised derivatives, partially aliphatic dicarboxylic acids which also contain an aromatic benzene core and ferrocenedicarboxylic acid. The most important structural characterisation method will be X-ray powder diffraction. While the discovery of new compounds is anticipated, it is also expected that aliphatic analogues of well-known MOFs based on rigid linker molecules will be obtained. In this case the influence of the flexible unit on the compounds properties can be directly deduced by comparison to its rigid counterpart. Thus the flexibility of the investigated compounds depending on external stimuli like pressure, temperature and guest molecules will be also investigated by means of X-ray powder diffraction. The expected structural flexibility of the new MOFs will be compared to related compounds based on rigid organic building units. Pressure dependent diffraction experiments will be conducted using synchrotron radiation and a diamond anvil cell. In addition the phase transitions upon adsorption of guest molecules from solution and especially their kinetics will be investigated in-situ using synchrotron radiation.