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

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

Baias, Maria
•
Lesage, Anne
•
Aguado, Sonia
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2015
Angewandte Chemie International Edition

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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Type
research article
DOI
10.1002/anie.201500518
Web of Science ID

WOS:000354255400029

Author(s)
Baias, Maria
Lesage, Anne
Aguado, Sonia
Canivet, Jerome
Moizan-Basle, Virginie
Audebrand, Nathalie
Farrusseng, David
Emsley, Lyndon  
Date Issued

2015

Publisher

Wiley-Blackwell

Published in
Angewandte Chemie International Edition
Volume

54

Issue

20

Start page

5971

End page

5976

Subjects

density functional calculations

•

metal-organic frameworks

•

porous materials

•

solid-state NMR spectroscopy

•

X-ray diffraction

Editorial or Peer reviewed

REVIEWED

Written at

OTHER

EPFL units
LRM  
Available on Infoscience
May 19, 2015
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/114008
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