Definitive Molecular Level Characterization of Defects in UiO‐66 Crystals

作者：Christopher A. Trickett, Kevin J. Gagnon, Seungkyu Lee, Felipe Gándara, Hans‐Beat Bürgi, Omar M. Yaghi · 发表于：Angewandte Chemie International Edition · 年份：2015 · DOI：10.1002/anie.201505461 · 被引用次数：525 · 研究领域：Metal-Organic Frameworks: Synthesis and Applications、X-ray Diffraction in Crystallography、Crystal Structures and Properties

The identification and characterization of defects, on the molecular level, in metal-organic frameworks (MOFs) remain a challenge. With the extensive use of single-crystal X-ray diffraction (SXRD), the missing linker defects in the zirconium-based MOF UiO-66, Zr6 O4 (OH)4 (C8 H4 O4 )6 , have been identified as water molecules coordinated directly to the zirconium centers. Charge balancing is achieved by hydroxide anions, which are hydrogen bonded within the pores of the framework. Furthermore, the precise nature of the defects and their concentration can be manipulated by altering the starting materials, synthesis conditions, and post-synthetic modifications.