PMID- 26352027 OWN - NLM STAT- PubMed-not-MEDLINE DCOM- 20151124 LR - 20150910 IS - 1521-3773 (Electronic) IS - 1433-7851 (Linking) VI - 54 IP - 38 DP - 2015 Sep 14 TI - Definitive molecular level characterization of defects in UiO-66 crystals. PG - 11162-7 LID - 10.1002/anie.201505461 [doi] AB - 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. CI - (c) 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. FAU - Trickett, Christopher A AU - Trickett CA AD - Department of Chemistry, University of California-Berkeley, Materials Sciences Division, Lawrence Berkeley National Laboratory, Kavli Energy Nanosciences Institute at Berkeley, Center for Global Science at Berkeley, Berkeley, CA 94720 (USA). FAU - Gagnon, Kevin J AU - Gagnon KJ AD - Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (USA). FAU - Lee, Seungkyu AU - Lee S AD - Department of Chemistry, University of California-Berkeley, Materials Sciences Division, Lawrence Berkeley National Laboratory, Kavli Energy Nanosciences Institute at Berkeley, Center for Global Science at Berkeley, Berkeley, CA 94720 (USA). FAU - Gandara, Felipe AU - Gandara F AD - Department of New Architectures in Materials Chemistry, Materials Science Institute of Madrid, Consejo Superior de Investigaciones Cientificas, Madrid 28049 (Spain). FAU - Burgi, Hans-Beat AU - Burgi HB AD - Visiting Scholar at University of California - Berkeley, Institute of Chemistry, University of Zurich, Winterthurestrasse, 190, 8057 Zurich (Switzerland). FAU - Yaghi, Omar M AU - Yaghi OM AD - Department of Chemistry, University of California-Berkeley, Materials Sciences Division, Lawrence Berkeley National Laboratory, Kavli Energy Nanosciences Institute at Berkeley, Center for Global Science at Berkeley, Berkeley, CA 94720 (USA). yaghi@berkeley.edu. AD - King Abdulaziz City of Science and Technology, P.O. Box 6086, Riyadh 11442 (Saudi Arabia). yaghi@berkeley.edu. LA - eng PT - Journal Article PL - Germany TA - Angew Chem Int Ed Engl JT - Angewandte Chemie (International ed. in English) JID - 0370543 OTO - NOTNLM OT - UiO-66 OT - X-ray diffraction OT - metal-organic frameworks OT - single crystals OT - structure elucidation EDAT- 2015/09/10 06:00 MHDA- 2015/09/10 06:01 CRDT- 2015/09/10 06:00 PHST- 2015/06/14 00:00 [received] PHST- 2015/09/10 06:00 [entrez] PHST- 2015/09/10 06:00 [pubmed] PHST- 2015/09/10 06:01 [medline] AID - 10.1002/anie.201505461 [doi] PST - ppublish SO - Angew Chem Int Ed Engl. 2015 Sep 14;54(38):11162-7. doi: 10.1002/anie.201505461.