Investigation of the terahertz vibrational modes of ZIF-8 and ZIF-90 with terahertz time-domain spectroscopy.
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.
Department of Chemical Engineering and Biotechnology, University of Cambridge, Pembroke Street, Cambridge CB2 3RA, UK. jaz22@cam.ac.uk.
Nicholas Y
NY
Tan
Department of Chemistry, Syracuse University, 111 College Place, Syracuse, New York, USA.
Michael T
MT
Ruggiero
Department of Chemical Engineering and Biotechnology, University of Cambridge, Pembroke Street, Cambridge CB2 3RA, UK. jaz22@cam.ac.uk.
Claudia
C
Orellana-Tavra
Department of Chemical Engineering and Biotechnology, University of Cambridge, Pembroke Street, Cambridge CB2 3RA, UK. jaz22@cam.ac.uk.
Tian
T
Tian
Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, UK.
Andrew D
AD
Bond
Department of Chemistry, Syracuse University, 111 College Place, Syracuse, New York, USA.
Timothy M
TM
Korter
Department of Chemical Engineering and Biotechnology, University of Cambridge, Pembroke Street, Cambridge CB2 3RA, UK. jaz22@cam.ac.uk.
David
D
Fairen-Jimenez
Department of Chemical Engineering and Biotechnology, University of Cambridge, Pembroke Street, Cambridge CB2 3RA, UK. jaz22@cam.ac.uk.
J Axel
JA
Zeitler