Garzón-Serrano Andrea Y, Lozano Johan D, Perez Leon D, Sierra César A, Macías Mario A
Grupo de Investigación en Macromoléculas, Departamento de Química, Universidad Nacional de Colombia Bogotá 111321 Colombia
Crystallography and Chemistry of Materials, CrisQuimMat, Department of Chemistry, Universidad de los Andes Bogotá 111711 Colombia
RSC Adv. 2024 Sep 19;14(41):29910-29918. doi: 10.1039/d4ra03940h. eCollection 2024 Sep 18.
During attempts to synthesize zirconium-based MOFs, we have obtained a new crystal structure of the cluster with ZrO core and formula unit [ZrO(OH)(OH)(CHCOO)(SO)]·HO. Unlike other systems, mild conditions were employed in this case; no strong acids or hydrothermal conditions were required. The molecular assembly in the crystal is characterized by strong O-H⋯O hydrogen bonds connecting neighboring molecules, allowing the formation of a three-dimensional maze of tunnels with HO molecules stabilizing the framework. Noteworthy, at 100 °C, the strong ZrO core and the O-H⋯O hydrogen bonds help form a system where the molecular cluster is conserved, but the long-range order is lost. FT-IR, Raman, TGA, DSC, and X-ray diffraction techniques were used to characterize the title compound.
在尝试合成锆基金属有机框架材料的过程中，我们获得了一种新的簇合物晶体结构，其核心为ZrO，化学式单元为[ZrO(OH)(OH)(CHCOO)(SO)]·HO。与其他体系不同，在这种情况下采用了温和的条件；不需要强酸或水热条件。晶体中的分子组装以连接相邻分子的强O-H⋯O氢键为特征，使得形成了一个由HO分子稳定框架的三维隧道迷宫。值得注意的是，在100℃时，强大的ZrO核心和O-H⋯O氢键有助于形成一个分子簇得以保留但长程有序性丧失的体系。使用傅里叶变换红外光谱、拉曼光谱、热重分析、差示扫描量热法和X射线衍射技术对标题化合物进行了表征。
