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Record W4408573854 · doi:10.1021/acs.chemmater.4c03231

Ultra-Microporous Zinc-Diaminotriazolate-Oxalate Metal Organic Framework with Nonlayered-Pillared Structure Showing High Carbon Dioxide Uptakes at Low Partial Pressures

2025· article· en· W4408573854 on OpenAlexaff
Piyush Singh, Himan Dev Singh, Pragalbh Shekhar, Chitvan Jain, Ping Song, Mahsa Loloei, Michael Edwin, Yan Gao, Nima Masoumifard, Ramanathan Vaidhyanathan

Bibliographic record

VenueChemistry of Materials · 2025
Typearticle
Languageen
FieldChemistry
TopicMetal-Organic Frameworks: Synthesis and Applications
Canadian institutionsCarbon Engineering (Canada)
FundersAir Force Office of Scientific ResearchScience and Engineering Research BoardUniversity Grants CommissionMinistry of Education, IndiaCouncil of Scientific and Industrial Research, India
KeywordsMicroporous materialOxalateZincCarbon dioxideMetal-organic frameworkInorganic chemistryMaterials scienceMetalCarbon fibersChemistryOrganic chemistryMetallurgyAdsorption

Abstract

fetched live from OpenAlex

We report a zinc-diaminotriazolato-oxalate metal–organic framework (IISERP-MOF36, 1) inspired by the exceptional CO 2 selectivity demonstrated by its triazolate analogue, CALF-20. Unlike the CALF-20 family, 1 adopts a nonlayered, pillared structure, despite their similar composition. The 1D ultramicroporous channels in this MOF enhance strong interactions with the carbon dioxide CO 2 . Additionally, the t-shaped orientation of CO 2 molecules within the pores promotes cooperative CO 2 –CO 2 interactions, resulting in superior low-pressure CO 2 uptake compared to that of CALF-20. This suggests that 1 has potential as a sorbent in applications such as the natural gas combined cycle or direct air capture. However, despite its structural and compositional similarities to CALF-20, 1 exhibits reduced hydrophobicity due to subtle differences in the pore environment. These findings open possibilities for designing advanced sorbents combining the best characteristics of both of these MOFs.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.001
Threshold uncertainty score0.002

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0000.000

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.007
GPT teacher head0.214
Teacher spread0.207 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations5
Published2025
Admission routes1
Has abstractyes

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