Methyl-rotation dynamics in metal-organic frameworks probed with terahertz spectroscopy

Qi Li, Adam J. Zaczek, Timothy Michael Korter, J. Axel Zeitler, Michael T. Ruggiero

Research output: Contribution to journalArticle

6 Citations (Scopus)

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.

Original languageEnglish (US)
Pages (from-to)5776-5779
Number of pages4
JournalChemical Communications
Volume54
Issue number45
DOIs
StatePublished - Jan 1 2018

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Terahertz spectroscopy
Rotors
Metals
Point groups
Cobalt
Cryogenics
Raman spectroscopy
Spectroscopy
Temperature

ASJC Scopus subject areas

  • Catalysis
  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Chemistry(all)
  • Surfaces, Coatings and Films
  • Metals and Alloys
  • Materials Chemistry

Cite this

Methyl-rotation dynamics in metal-organic frameworks probed with terahertz spectroscopy. / Li, Qi; Zaczek, Adam J.; Korter, Timothy Michael; Zeitler, J. Axel; Ruggiero, Michael T.

In: Chemical Communications, Vol. 54, No. 45, 01.01.2018, p. 5776-5779.

Research output: Contribution to journalArticle

Li, Qi ; Zaczek, Adam J. ; Korter, Timothy Michael ; Zeitler, J. Axel ; Ruggiero, Michael T. / Methyl-rotation dynamics in metal-organic frameworks probed with terahertz spectroscopy. In: Chemical Communications. 2018 ; Vol. 54, No. 45. pp. 5776-5779.
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