Investigation of the terahertz vibrational modes of ZIF-8 and ZIF-90 with terahertz time-domain spectroscopy

Nicholas Y. Tan, Michael T. Ruggiero, Claudia Orellana-Tavra, Tian Tian, Andrew D. Bond, Timothy M. Korter, David Fairen-Jimenez, J. Axel Zeitler

Research output: Contribution to journalArticle

27 Scopus citations

Abstract

We present experimental and computational evidence that gate-opening modes for zeolitic imidazole frameworks can be observed at terahertz frequencies. Our work highlights the critical importance to correctly optimise the crystal structure prior to computational lattice dynamics analysis. The results support the hypothesis that the low energy vibrational modes do indeed play a significant role in host-guest interactions for ZIFs, such as gas loading.

Original languageEnglish (US)
Pages (from-to)16037-16040
Number of pages4
JournalChemical Communications
Volume51
Issue number89
DOIs
StatePublished - Jan 1 2015

ASJC Scopus subject areas

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

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    Tan, N. Y., Ruggiero, M. T., Orellana-Tavra, C., Tian, T., Bond, A. D., Korter, T. M., Fairen-Jimenez, D., & Axel Zeitler, J. (2015). Investigation of the terahertz vibrational modes of ZIF-8 and ZIF-90 with terahertz time-domain spectroscopy. Chemical Communications, 51(89), 16037-16040. https://doi.org/10.1039/c5cc06455d