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Issue 45, 2018
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Methyl-rotation dynamics in metal–organic frameworks probed with terahertz spectroscopy

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Abstract

In ZIF-8 and its cobalt analogue ZIF-67, the imidazolate methyl-groups, which point directly into the void space, have been shown to freely rotate – even down to cryogenic temperatures. Using a combination of experimental terahertz time-domain spectroscopy, low-frequency Raman spectroscopy, and state-of-the-art ab initio simulations, the methyl-rotor dynamics in ZIF-8 and ZIF-67 are fully characterized within the context of a quantum-mechanical hindered-rotor model. The results lend insight into the fundamental origins of the experimentally observed methyl-rotor dynamics, and provide valuable insight into the nature of the weak interactions present within this important class of materials.

Graphical abstract: Methyl-rotation dynamics in metal–organic frameworks probed with terahertz spectroscopy

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Publication details

The article was received on 02 Apr 2018, accepted on 14 May 2018 and first published on 14 May 2018


Article type: Communication
DOI: 10.1039/C8CC02650E
Citation: Chem. Commun., 2018,54, 5776-5779
  • Open access: Creative Commons BY license
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    Methyl-rotation dynamics in metal–organic frameworks probed with terahertz spectroscopy

    Q. Li, A. J. Zaczek, T. M. Korter, J. A. Zeitler and M. T. Ruggiero, Chem. Commun., 2018, 54, 5776
    DOI: 10.1039/C8CC02650E

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