Literature DB >> 25808112

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

Maria Baias1, Anne Lesage, Sonia Aguado, Jerome Canivet, Virginie Moizan-Basle, Nathalie Audebrand, David Farrusseng, Lyndon Emsley.   

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.
© 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Entities:  

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

Year:  2015        PMID： 25808112     DOI： 10.1002/anie.201500518

Source DB:  PubMed          Journal:  Angew Chem Int Ed Engl        ISSN： 1433-7851            Impact factor:   15.336


  5 in total

1.  Ultrafast 1H MAS NMR Crystallography for Natural Abundance Pharmaceutical Compounds.

Authors:  Jochem Struppe; Caitlin M Quinn; Sucharita Sarkar; Angela M Gronenborn; Tatyana Polenova
Journal:  Mol Pharm       Date:  2020-01-13       Impact factor: 4.939

2.  Co-existence of Distinct Supramolecular Assemblies in Solution and in the Solid State.

Authors:  G N Manjunatha Reddy; Aida Huqi; Dinu Iuga; Satoshi Sakurai; Andrew Marsh; Jeffery T Davis; Stefano Masiero; Steven P Brown
Journal:  Chemistry       Date:  2016-12-22       Impact factor: 5.236

3.  Structure elucidation of a complex CO2-based organic framework material by NMR crystallography.

Authors:  Julien Leclaire; Guillaume Poisson; Fabio Ziarelli; Gerard Pepe; Frédéric Fotiadu; Federico M Paruzzo; Aaron J Rossini; Jean-Nicolas Dumez; Bénédicte Elena-Herrmann; Lyndon Emsley
Journal:  Chem Sci       Date:  2016-03-22       Impact factor: 9.825

4.  A combined experimental-computational investigation on water adsorption in various ZIFs with the SOD and RHO topologies.

Authors:  Meizhen Gao; Jing Wang; Zhenghao Rong; Qi Shi; Jinxiang Dong
Journal:  RSC Adv       Date:  2018-11-27       Impact factor: 4.036

5.  CO2 Capture from High-Humidity Flue Gas Using a Stable Metal-Organic Framework.

Authors:  Qi Wang; Yang Chen; Puxu Liu; Yi Wang; Jiangfeng Yang; Jinping Li; Libo Li
Journal:  Molecules       Date:  2022-08-31       Impact factor: 4.927
  5 in total

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