Unexpected crystallization patterns of zinc boron imidazolate framework ZBIF-1: NMR crystallography of integrated metal-organic frameworks

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61389013%3A_____%2F17%3A00483961" target="_blank" >RIV/61389013:_____/17:00483961 - isvavai.cz</a>
Alternative codes found
RIV/68378271:_____/17:00483961
Result on the web
<a href="http://dx.doi.org/10.1002/cphc.201701063" target="_blank" >http://dx.doi.org/10.1002/cphc.201701063</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1002/cphc.201701063" target="_blank" >10.1002/cphc.201701063</a>

Result language
angličtina
Original language name
Unexpected crystallization patterns of zinc boron imidazolate framework ZBIF-1: NMR crystallography of integrated metal-organic frameworks
Original language description
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 1H, 11B, 13C, and 15N 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.
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10403 - Physical chemistry

Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2017
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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