Towards Predicting the Sequential Appearance of Zeolitic Imidazolate Frameworks Synthesized by Mechanochemistry.

Mohamed Cherif, Gaixia Zhang, Yang Gao, Shuhui Sun, François Vidal

Abstract read

In one paragraph

Article in Molecules (Basel, Switzerland), 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

0numbers the graph read from it

0cells of the map it votes in

0citing 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

0 citing papers in PubMed.

No citing paper in PubMed yet.

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

5 authors.

Mohamed CherifCentre Énergie, Matériaux, Télécommunications, Institut National de la Recherche Scientifique, 1650 Bd. Lionel-Boulet, Varennes, QC J3X 1P7, Canada.

Gaixia ZhangCentre Énergie, Matériaux, Télécommunications, Institut National de la Recherche Scientifique, 1650 Bd. Lionel-Boulet, Varennes, QC J3X 1P7, Canada.

Yang GaoCentre Énergie, Matériaux, Télécommunications, Institut National de la Recherche Scientifique, 1650 Bd. Lionel-Boulet, Varennes, QC J3X 1P7, Canada.

Shuhui SunCentre Énergie, Matériaux, Télécommunications, Institut National de la Recherche Scientifique, 1650 Bd. Lionel-Boulet, Varennes, QC J3X 1P7, Canada.

François VidalCentre Énergie, Matériaux, Télécommunications, Institut National de la Recherche Scientifique, 1650 Bd. Lionel-Boulet, Varennes, QC J3X 1P7, Canada.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

We use computational materials methods to study the sequential appearance of zinc-based zeolitic imidazolate frameworks (ZIFs) generated in the mechanochemical conversion process. We consider nine ZIF topologies, namely RHO, ANA, QTZ, SOD, KAT, DIA, NEB, CAG and GIS, combined with the two ligands 2-methylimidazolate and 2-ethylimidazolate. Of the 18 combinations obtained, only six (three for each ligand) were actually observed during the mechanosynthesis process. Energy and porosity calculations based on density functional theory, in combination with the Ostwald rule of stages, were found to be insufficient to distinguish the experimentally observed ZIFs. We then show, using classical molecular dynamics, that only ZIFs withstanding quasi-hydrostatic pressure

Indexed as

ZeolitesImidazolesMolecular Dynamics SimulationZincImidazolesZeolitesZincdensity functional theoryhydrostatic pressuremechanochemistrymetal organic frameworksmolecular dynamicsvan der Waals interactionszeolitic imidazolate frameworks

Identifiers

PMID35335309

DOI10.3390/molecules27061946

PMCPMC8954221

What OpenQuestion holds

Textmetadata

LicenceCC BY

Read underepoch 390

Registered trials

None linked

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.