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

被引：53

作者：

Tan, Nicholas Y. ^{[1
]}

Ruggiero, Michael T. ^{[2
]}

Orellana-Tavra, Claudia ^{[1
]}

Tian, Tian ^{[1
]}

Bond, Andrew D. ^{[3
]}

Korter, Timothy M. ^{[2
]}

Fairen-Jimenez, David ^{[1
]}

Zeitler, J. Axel ^{[1
]}

机构：

[1] Univ Cambridge, Dept Chem Engn & Biotechnol, Cambridge CB2 3RA, England

[2] Syracuse Univ, Dept Chem, Syracuse, NY 13244 USA

[3] Univ Cambridge, Dept Chem, Cambridge CB2 1EW, England

来源：

CHEMICAL COMMUNICATIONS | 2015年 / 51卷 / 89期

关键词：

ADSORPTION; FLEXIBILITY; FREQUENCIES; SEPARATION; FRAMEWORKS; DYNAMICS; BEHAVIOR; SPECTRA;

D O I：

10.1039/c5cc06455d

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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.

引用

页码：16037 / 16040

页数：4

共 38 条

[1] Novel MOF-Membrane for Molecular Sieving Predicted by IR-Diffusion Studies and Molecular Modeling [J].

Bux, Helge ;

Chmelik, Christian ;

van Baten, Jasper M. ;

Krishna, Rajamani ;

Caro, Juergen .

ADVANCED MATERIALS, 2010, 22 (42) :4741-+

[2] Zeolitic Imidazolate Framework Membrane with Molecular Sieving Properties by Microwave-Assisted Solvothermal Synthesis [J].

Bux, Helge ;

Liang, Fangyi ;

Li, Yanshuo ;

Cravillon, Janosch ;

Wiebcke, Michael ;

Caro, Juergen .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2009, 131 (44) :16000-+

[3] CRYSTAL14: A Program for the Ab Initio Investigation of Crystalline Solids [J].

Dovesi, Roberto ;

Orlando, Roberto ;

Erba, Alessandro ;

Zicovich-Wilson, Claudio M. ;

Civalleri, Bartolomeo ;

Casassa, Silvia ;

Maschio, Lorenzo ;

Ferrabone, Matteo ;

De La Pierre, Marco ;

D'Arco, Philippe ;

Noel, Yves ;

Causa, Mauro ;

Rerat, Michel ;

Kirtman, Bernard .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2014, 114 (19) :1287-1317

[4] An extended dynamical hydration shell around proteins [J].

Ebbinghaus, Simon ;

Kim, Seung Joong ;

Heyden, Matthias ;

Yu, Xin ;

Heugen, Udo ;

Gruebele, Martin ;

Leitner, David M. ;

Havenith, Martina .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2007, 104 (52) :20749-20752

[5] Surface area and microporosity of carbon aerogels from gas adsorption and small- and wide-angle x-ray scattering measurements [J].

Fairén-Jiménez, D ;

Carrasco-Marín, F ;

Djurado, D ;

Françoise, B ;

Ehrburger-Dolle, F ;

Moreno-Castilla, C .

JOURNAL OF PHYSICAL CHEMISTRY B, 2006, 110 (17) :8681-8688

[6] Opening the Gate: Framework Flexibility in ZIF-8 Explored by Experiments and Simulations [J].

Fairen-Jimenez, D. ;

Moggach, S. A. ;

Wharmby, M. T. ;

Wright, P. A. ;

Parsons, S. ;

Dueren, T. .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2011, 133 (23) :8900-8902

[7] Flexibility and swing effect on the adsorption of energy-related gases on ZIF-8: combined experimental and simulation study [J].

Fairen-Jimenez, David ;

Galvelis, Raimondas ;

Torrisi, Antonio ;

Gellan, Alistair D. ;

Wharmby, Michael T. ;

Wright, Paul A. ;

Mellot-Draznieks, Caroline ;

Dueren, Tina .

DALTON TRANSACTIONS, 2012, 41 (35) :10752-10762

[8] Unusual Adsorption Behavior on Metal-Organic Frameworks [J].

Fairen-Jimenez, David ;

Seaton, Nigel A. ;

Duren, Tina .

LANGMUIR, 2010, 26 (18) :14694-14699

[9] Nonharmonic transverse vibration of the H-bonded molecules and the THz spectra in ice and water [J].

Gaiduk, Vladimir I. ;

Crothers, Derrick S. F. .

JOURNAL OF MOLECULAR LIQUIDS, 2006, 128 (1-3) :145-160

[10] Ethane/Ethene Separation Turned on Its Head: Selective Ethane Adsorption on the Metal-Organic Framework ZIF-7 through a Gate-Opening Mechanism [J].

Gucuyener, Canan ;

van den Bergh, Johan ;

Gascon, Jorge ;

Kapteijn, Freek .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2010, 132 (50) :17704-17706

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