Francisco Javier Agudo DomínguezClara del Javier Solar Gutiérrez
Framework materials, that is, metal-organic frameworks (MOFs) and inorganic frameworks (zeolites), are porous systems with regular structures that provide valuable properties suitable for sorption, catalysis, molecular sieving, and so on. Herein, an efficient, experimental/computational strategy is presented that allows detailed characterization of a polycrystalline MOF system, namely, zinc boron imidazolate framework ZBIF-1, with two integrated unit cells on the atomic-resolution level. Although high-resolution 1 H, 11 B, 13 C, and 15 N MAS NMR spectra provide valuable structural information on the coexistence of two distinct asymmetric units in the investigated system, an NMR crystallography approach combining X-ray powder diffraction, solid-state NMR spectroscopy, and DFT calculations allowed the exact structure of the secondary crystalline phase to be firmly defined and, furthermore, the mutual interconnectivity of the two crystalline frameworks to be resolved. Thus, this study shows the versatility and efficiency of solid-state NMR crystallography for the investigation of the wide family of MOF materials with their extensive structural complexity.
Ana Rosa Alconero‐CamareroJosé Luís Cobo SánchezMaría Casaus-PérezMaría Elena García-CampoMaría José Garcia-ZarrabeitiaMarta Calvo-DiezLuz Elena Mirones-Valdeolivas
Milton Alcaíno I.Denisse Lama H.Gonzalo Pereira R.
Benjamín Alexander Márquez RosalesEdwar Jassir Rozó OrtizJavier Orlando Barón BarónLedmar Jovanny Vargas RMilena Brigitte Agudelo Sanabria