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Methyl-Rotation Dynamics in Metal-Organic Frameworks Probed with Terahertz Spectroscopy

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.

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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, Accepted Manuscript
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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, Accepted Manuscript , DOI: 10.1039/C8CC02650E

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