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Probing Calcium‐Based Metal‐Organic Frameworks via Natural Abundance 43 Ca Solid‐State NMR Spectroscopy
Author(s) -
Chen Shoushun,
Lucier Bryan E. G.,
Chen Mansheng,
Terskikh Victor V.,
Huang Yining
Publication year - 2018
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201802164
Subject(s) - spectroscopy , calcium , nuclear magnetic resonance spectroscopy , solid state nuclear magnetic resonance , metal , chemistry , abundance (ecology) , metal organic framework , chemical physics , materials science , analytical chemistry (journal) , nuclear magnetic resonance , stereochemistry , organic chemistry , physics , quantum mechanics , fishery , biology , adsorption
Calcium‐based metal‐organic frameworks (MOFs) are of high importance due to their low cost and bio‐compatible metal centers. Understanding the local environment of calcium in these materials is critical for unraveling the origins of specific MOF properties. 43 Ca solid‐state NMR spectroscopy is one of the very few techniques that can directly characterize calcium metal centers, however, the 43 Ca nucleus is a very challenging target for solid‐state NMR spectroscopy due to its extremely low natural abundance and resonant frequency. In this work, natural abundance 43 Ca solid‐state NMR spectroscopy, at a high magnetic field of 21.1 T, has been employed to characterize several calcium‐based MOFs. We demonstrate that 43 Ca NMR spectra and quantum chemical calculations can probe the local structure of calcium metal centers within MOFs, investigate the presence of guests, and monitor phase changes.