A novel method to measure diffusion coefficients in porous metal–organic frameworks

Literature Information

Publication Date 2010-06-07
DOI 10.1039/B927601G
Impact Factor 3.676
Authors

Olexandra Zybaylo, Osama Shekhah, Hui Wang, Maxim Tafipolsky, Rochus Schmid, Diethelm Johannsmann, Christof Wöll


View Original

Abstract

We present a novel method to determine diffusion constants of small molecules within highly porous metal–organic frameworks (MOFs). The method is based on the recently proposed liquid-phase epitaxy (LPE) process to grow MOF thin films (SURMOFs) on appropriately functionalized substrates, in particular on organic surfaces exposed by thiolate-based self-assembled monolayers (SAMs). By applying the LPE-method to SAM-coated quartz crystals, the time-dependence of the mass-uptake of the MOF when exposing it to a gas is measured by a quartz-crystal microbalance (QCM). The homogenous nature of the SURMOFs together with their well-defined thickness allow to analyze the QCM-data using Fickian diffusion to yield the diffusion constant. We demonstrate the potential of this method for the case of pyridine diffusion within HKUST-1 (Cu3(BTC)2) MOF, for which the diffusion coefficient at room temperature is found to amount to 1.5 × 10−19 m2 s−1. Assuming a Fickian diffusion and a hopping mechanism, we yield a binding energy of 0.78 eV of the pyridine to the Cu2+ sites within the HKUST-1 MOF, a value in good agreement with the results of precise ab initio quantum chemistry calculations.

Related Literature

Excited states of modified oxygen-deficient centers and Si quantum dots in Gd-implanted silica glasses: emission dynamics and lifetime distributions

A. F. Zatsepin, Yu. A. Kuznetsova, E. S. Trofimova, V. A. Pustovarov

2021-09-24 Paper

DOI: 10.1039/D1CP03826E

Zn–Fe–oxide nanostructures of different iron concentrations for multifunctional applications: properties and precursor influence

V. Mihalache, C. Negrila, I. Mercioniu, N. Iacob, V. Kuncser

2021-07-23 Paper

DOI: 10.1039/D1CP01002F

Photochemistry and UV/vis spectroscopy of hydrated vanadium cations, V+(H2O)n, n = 1–41, a model system for photochemical hydrogen evolution

Jakob Heller, Tobias F. Pascher, Dominik Muß, Christian van der Linde, Martin K. Beyer, Milan Ončák

2021-08-06 Paper

DOI: 10.1039/D1CP02382A

Enhanced photocatalytic activity, transport properties and electronic structure of Mn doped GdFeO3 synthesized using the sol–gel process

Ritwik Maity, Alo Dutta, Saswata Halder, Santiranjan Shannigrahi, Kalyan Mandal, T. P. Sinha

2021-07-22 Paper

DOI: 10.1039/D1CP00621E

Contents list

2021-10-13 Front/Back Matter

DOI: 10.1039/D1CP90205A

Modeling the impedance response and steady state behaviour of porous CGO-based MIEC anodes

Philip Marmet, Lorenz Holzer, Jan G. Grolig, Holger Bausinger, Andreas Mai, Joseph M. Brader, Thomas Hocker

2021-10-06 Paper

DOI: 10.1039/D1CP01962G

A theoretical study on the excited-state deactivation paths for the A–5FU dimer

Xue-fang Yu, Ting-he Fu, Bo Xiao, Hong-yuan Yu, Qingzhong Li

2021-06-28 Paper

DOI: 10.1039/D1CP00030F

Computational investigations of selected enzymes from two iron and α-ketoglutarate-dependent families

Madison B. Berger, Alice R. Walker, Erik Antonio Vázquez-Montelongo, G. Andrés Cisneros

2021-09-24 Perspective

DOI: 10.1039/D1CP03800A

Phase transitions in 1-bromoadamantane compared to 1-chloroadamantane: similarities and unique features

Igor V. Danilov, Elena L. Gromnitskaya, Vadim V. Brazhkin

2021-10-04 Paper

DOI: 10.1039/D1CP03080A

You might also like

Compound Q&A

What precautions should be taken when handling 4-Methyl-6-(trifluoromethyl)quinoline (CAS: 40716-16-3)?

When handling 4-Methyl-6-(trifluoromethyl)quinoline (CAS: 40716-16-3), safety go...

40716-16-34-Methyl-6-(trifluor...
Compound Q&A

What is 4-(3,5-Difluorophenyl)aniline (CAS: 405058-00-6)?

4-(3,5-Difluorophenyl)aniline is an aromatic organic compound with the CAS numbe...

405058-00-64-(3,5-Difluoropheny...
Compound Q&A

How is 5-{[4-(Trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole-4-carboxylic acid (CAS: 338982-07-3) typically synthesized?

5-{[4-(Trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole-4-carboxylic acid can ...

338982-07-35-{[4-(Trifluorometh...
Compound Q&A

What is the market or research trend for 4-Benzylaniline hydrochloride (CAS: 6317-57-3)?

The market for 4-Benzylaniline hydrochloride (CAS: 6317-57-3) is steadily growin...

6317-57-34-Benzylaniline hydr...
Compound Q&A

Is [3-(Diethylsulfamoyl)phenyl]boronic acid (CAS: 871329-58-7) safe?

[3-(Diethylsulfamoyl)phenyl]boronic acid is generally considered safe when handl...

871329-58-7[3-(Diethylsulfamoyl...
Compound Q&A

What are the main uses of 3-Bromo-2,5-dimethoxyaniline (CAS: 115929-62-9)?

3-Bromo-2,5-dimethoxyaniline is mainly used in the pharmaceutical and chemical i...

115929-62-93-Bromo-2,5-dimethox...
Compound Q&A

What regulatory guidelines apply to N-Methyl-1-(5-methyl-1H-indol-3-yl)methanamine (CAS: 915922-67-7)?

N-Methyl-1-(5-methyl-1H-indol-3-yl)methanamine (CAS: 915922-67-7) is subject to ...

915922-67-7N-Methyl-1-(5-methyl...
Compound Q&A

What industries use Carbamic acid, N-[(5S)-5,6-diamino-6-oxohexyl]-, 1,1-dimethylethyl ester (CAS: 24828-96-4)?

This compound is primarily used in the pharmaceutical industry for the synthesis...

24828-96-4Carbamic acid, N-[(5...
Compound Q&A

How should 2-Methyl-2-propanyl [(1S,3R)-3-aminocyclohexyl]carbamate (CAS: 1298101-47-9) be stored?

2-Methyl-2-propanyl [(1S,3R)-3-aminocyclohexyl]carbamate (CAS: 1298101-47-9) sho...

1298101-47-92-Methyl-2-propanyl ...
Compound Q&A

What industries use Ethyl 2-bromo-4,4,4-trifluorobutanoate (CAS: 367-33-9)?

Ethyl 2-bromo-4,4,4-trifluorobutanoate (CAS: 367-33-9) is utilized in the pharma...

367-33-9Ethyl 2-bromo-4,4,4-...

Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Recommended Compounds

Recommended Suppliers

Disclaimer
This page provides academic journal information for reference and research purposes only. We are not affiliated with any journal publishers and do not handle publication submissions. For publication-related inquiries, please contact the respective journal publishers directly.
If you notice any inaccuracies in the information displayed, please contact us at support@chemtradehub.com. We will promptly review and address your concerns.