Evidence map›Paper›PMID 38860455›Full record

ArticleACS nano2024

Probing Self-Diffusion of Guest Molecules in a Covalent Organic Framework: Simulation and Experiment.

Lars Grunenberg, Christopher Keßler, Tiong Wei Teh, Robin Schuldt, Fabian Heck, Johannes Kästner, Joachim Groß, Niels Hansen, Bettina V Lotsch

Abstract read
In one paragraph

Article in ACS nano, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.

0numbers the graph read from it
0cells of the map it votes in
5citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

5 citing papers in PubMed.

  1. Review
  2. Article
  3. Article
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4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

9 authors.

Lars GrunenbergMax Planck Institute for Solid State Research, Heisenbergstr. 1, Stuttgart 70569, Germany.ORCID 0000-0002-6831-4626
Christopher KeßlerInstitute of Thermodynamics and Thermal Process Engineering, University of Stuttgart, Pfaffenwaldring 9, Stuttgart 70569, Germany.
Tiong Wei TehInstitute of Thermodynamics and Thermal Process Engineering, University of Stuttgart, Pfaffenwaldring 9, Stuttgart 70569, Germany.
Robin SchuldtInstitute for Theoretical Chemistry, University of Stuttgart, Pfaffenwaldring 55, Stuttgart 70569, Germany.
Fabian HeckMax Planck Institute for Solid State Research, Heisenbergstr. 1, Stuttgart 70569, Germany.ORCID 0000-0003-0198-3398
Johannes KästnerInstitute for Theoretical Chemistry, University of Stuttgart, Pfaffenwaldring 55, Stuttgart 70569, Germany.ORCID 0000-0001-6178-7669
Joachim GroßInstitute of Thermodynamics and Thermal Process Engineering, University of Stuttgart, Pfaffenwaldring 9, Stuttgart 70569, Germany.ORCID 0000-0001-8632-357X
Niels HansenInstitute of Thermodynamics and Thermal Process Engineering, University of Stuttgart, Pfaffenwaldring 9, Stuttgart 70569, Germany.ORCID 0000-0003-4366-6120
Bettina V LotschMax Planck Institute for Solid State Research, Heisenbergstr. 1, Stuttgart 70569, Germany.ORCID 0000-0002-3094-303X

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Covalent organic frameworks (COFs) are a class of porous materials whose sorption properties have so far been studied primarily by physisorption. Quantifying the self-diffusion of guest molecules inside their nanometer-sized pores allows for a better understanding of confinement effects or transport limitations and is thus essential for various applications ranging from molecular separation to catalysis. Using a combination of pulsed field gradient nuclear magnetic resonance measurements and molecular dynamics simulations, we have studied the self-diffusion of acetonitrile and chloroform in the 1D pore channels of two imine-linked COFs (PI-3-COF) with different levels of crystallinity and porosity. The higher crystallinity and porosity sample exhibited anisotropic diffusion for MeCN parallel to the pore direction, with a diffusion coefficient of

Indexed as

covalent organic frameworkdiffusiongrand canonical Monte Carlomolecular dynamicspulsed field gradient NMR

Identifiers

PMID38860455
PMCPMC11210340

What OpenQuestion holds

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Registered trials

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.