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Definitive Molecular Level Characterization of Defects in UiO‐66 Crystals
Author(s) -
Trickett Christopher A.,
Gag Kevin J.,
Lee Seungkyu,
Gándara Felipe,
Bürgi HansBeat,
Yaghi Omar M.
Publication year - 2015
Publication title -
angewandte chemie
Language(s) - English
Resource type - Journals
eISSN - 1521-3757
pISSN - 0044-8249
DOI - 10.1002/ange.201505461
Subject(s) - zirconium , linker , characterization (materials science) , metal organic framework , molecule , hydroxide , materials science , crystallography , x ray crystallography , chemistry , diffraction , inorganic chemistry , nanotechnology , organic chemistry , adsorption , computer science , physics , optics , operating system
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, Zr 6 O 4 (OH) 4 (C 8 H 4 O 4 ) 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.