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Superstructure of a Substituted Zeolitic Imidazolate Metal–Organic Framework Determined by Combining Proton Solid‐State NMR Spectroscopy and DFT Calculations
Author(s) -
Baias Maria,
Lesage Anne,
Aguado Sonia,
Canivet Jerome,
MoizanBasle Virginie,
Audebrand Nathalie,
Farrusseng David,
Emsley Lyndon
Publication year - 2015
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201500518
Subject(s) - zeolitic imidazolate framework , imidazolate , density functional theory , solid state nuclear magnetic resonance , supercell , metal organic framework , superstructure , proton , materials science , spectroscopy , nuclear magnetic resonance spectroscopy , solid state , metal , crystallography , chemistry , computational chemistry , nuclear magnetic resonance , inorganic chemistry , stereochemistry , adsorption , thermodynamics , physics , thunderstorm , quantum mechanics , meteorology , metallurgy
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.