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ArticleAdvanced science (Weinheim, Baden-Wurttemberg, Germany)2025

Determination of the Experimental Minimal Formula of Metal-Organic Frameworks.

Jikson Pulparayil Mathew, Charlotte Simms, David E Salazar Marcano, Evert Dhaene, Tatjana N Parac-Vogt, Jonathan De Roo

Abstract read
In one paragraph

Article in Advanced science (Weinheim, Baden-Wurttemberg, Germany), 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.

0numbers the graph read from it
0cells of the map it votes in
7citing 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

7 citing papers in PubMed.

  1. Node Distortions as a Means of Defect Engineering in Zr-Based MOFs.Journal of the American Chemical Society · 2026
    Article
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  7. Determination of the Experimental Minimal Formula of Metal-Organic Frameworks.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2025
    Article
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

6 authors.

Jikson Pulparayil MathewDepartment of Chemistry, University of Basel, Mattenstrasse 22, 4058, Basel, Switzerland.ORCID https://orcid.org/0000-0001-6988-9889
Charlotte SimmsDepartment of Chemistry, KU Leuven, Celestijnenlaan 200F, 3001, Leuven, Belgium.ORCID https://orcid.org/0000-0002-9334-9476
David E Salazar MarcanoDepartment of Chemistry, University of Basel, Mattenstrasse 22, 4058, Basel, Switzerland.ORCID https://orcid.org/0000-0001-6936-8370
Evert DhaeneDepartment of Chemistry, University of Basel, Mattenstrasse 22, 4058, Basel, Switzerland.ORCID https://orcid.org/0000-0002-1604-0408
Tatjana N Parac-VogtDepartment of Chemistry, KU Leuven, Celestijnenlaan 200F, 3001, Leuven, Belgium.ORCID https://orcid.org/0000-0002-6188-3957
Jonathan De RooDepartment of Chemistry, University of Basel, Mattenstrasse 22, 4058, Basel, Switzerland.ORCID https://orcid.org/0000-0002-1264-9312

Funding

Fonds Wetenschappelijk Onderzoek 68090/11C9320NFonds Wetenschappelijk Onderzoek G025624NSchweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung 218106Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung 51NF-40-205608
6 · The paper itself

Abstract

The determination of the precise chemical composition of metal organic frameworks (MOFs) is often overlooked, although it is crucial for many advanced applications such as catalysis or drug delivery. Here, a rigorous yet simple method is proposed for the accurate determination of a MOF's minimal formula. By combining quantitative nuclear magnetic resonance (NMR) and ultraviolet-visible (UV-vis) spectroscopy data with thermogravimetric analysis (TGA), the minimal formula of several MOFs - MOF-808(Zr), UiO-66(Zr), UiO-66(Ce), MOF-5(Zn), MIL-125(Ti), and MIL-100(Fe) - are constructed. The influence of the MOF digestion method and the NMR measurement parameters on the accuracy of the minimal formula is shown. A quantitative method is provided for determining the amount of residual chloride or nitrate from metal precursors used in MOF synthesis, which has been ignored so far in minimal formulae determination. To improve the reproducibility and accuracy of MOF applications, the concept of the experimental molar mass is introduced, which can deviate significantly from the idealized molar mass. Although the determination of the MOF experimental minimal formula is often perceived as a complex and tedious task, the general methodology presented here is straightforward and involves very simple equations and procedures. It is easily generalized to new MOFs and even coordination networks of unknown structure, as demonstrated here for Al-BDC.

Indexed as

chloride testminimal formulaMOFsnitrate testnuclear magnetic resonance (NMR)thermogravimetric analysis (TGA)

Identifiers

PMID40536424
PMCPMC12376691

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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.