Superstructure of a substituted zeolitic imidazolate metal-organic framework determined by combining proton solid-state NMR spectroscopy and DFT calculations

Maria Baias, Anne Lesage, Sonia Aguado, Jerome Canivet, Virginie Moizan-Basle, Nathalie Audebrand, David Farrusseng, Lyndon Emsley

Research output: Contribution to journalArticle

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.

Original languageEnglish (US)
Pages (from-to)5971-5976
Number of pages6
JournalAngewandte Chemie - International Edition
Volume54
Issue number20
DOIs
StatePublished - May 11 2015

Keywords

  • X-ray diffraction
  • density functional calculations
  • metal-organic frameworks
  • porous materials
  • solid-state NMR spectroscopy

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)

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