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

doi:10.1039/c5cc06455d

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

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52 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 language	English (US)
Pages (from-to)	16037-16040
Number of pages	4
Journal	Chemical Communications
Volume	51
Issue number	89
DOIs	https://doi.org/10.1039/c5cc06455d
State	Published - 2015

ASJC Scopus subject areas

Catalysis
Electronic, Optical and Magnetic Materials
Ceramics and Composites
General Chemistry
Surfaces, Coatings and Films
Metals and Alloys
Materials Chemistry

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10.1039/c5cc06455d

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title = "Investigation of the terahertz vibrational modes of ZIF-8 and ZIF-90 with terahertz time-domain spectroscopy",

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.",

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

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doi = "10.1039/c5cc06455d",

language = "English (US)",

volume = "51",

pages = "16037--16040",

journal = "Chemical Communications",

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T1 - Investigation of the terahertz vibrational modes of ZIF-8 and ZIF-90 with terahertz time-domain spectroscopy

AU - Tan, Nicholas Y.

AU - Ruggiero, Michael T.

AU - Orellana-Tavra, Claudia

AU - Tian, Tian

AU - Bond, Andrew D.

AU - Korter, Timothy M.

AU - Fairen-Jimenez, David

AU - Axel Zeitler, J.

PY - 2015

Y1 - 2015

N2 - 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.

AB - 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.

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U2 - 10.1039/c5cc06455d

DO - 10.1039/c5cc06455d

M3 - Article

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VL - 51

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EP - 16040

JO - Chemical Communications

JF - Chemical Communications

IS - 89

ER -

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

Abstract

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