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Superstructure of a Substituted Zeolitic Imidazolate Metal–Organic Framework Determined by Combining Proton Solid-State NMR Spectroscopy and DFT Calculations

Abstract : We report the supercell crystal structure of a ZIF-8 analog substituted imidazolate metal–organic framework (SIM-1) obtained by combining solid-state nuclear magnetic resonance and powder X-ray diffraction experiments with density functional theory calculations
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https://hal-univ-rennes1.archives-ouvertes.fr/hal-01158452
Contributor : Laurent Jonchère <>
Submitted on : Monday, June 1, 2015 - 11:35:17 AM
Last modification on : Tuesday, October 20, 2020 - 2:36:05 PM

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Maria Baias, Anne Lesage, Sonia Aguado, Jérôme Canivet, Virginie Moizan-Baslé, et al.. Superstructure of a Substituted Zeolitic Imidazolate Metal–Organic Framework Determined by Combining Proton Solid-State NMR Spectroscopy and DFT Calculations. Angewandte Chemie International Edition, Wiley-VCH Verlag, 2015, 54 (20), pp.5971--5976. ⟨10.1002/anie.201500518⟩. ⟨hal-01158452⟩

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