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Record W2311231358 · doi:10.1139/cjc-2015-0391

Larger pores via shorter pillars in flexible layer coordination networks

2016· article· en· W2311231358 on OpenAlexaffvenue
Ramanathan Vaidhyanathan, Isaac Martens, Jian‐Bin Lin, S.S. Iremonger, George K. H. Shimizu

Bibliographic record

VenueCanadian Journal of Chemistry · 2016
Typearticle
Languageen
FieldChemistry
TopicMetal-Organic Frameworks: Synthesis and Applications
Canadian institutionsUniversity of Calgary
Fundersnot available
KeywordsChemistryCationic polymerizationSBusMetal-organic frameworkPorosityRigidity (electromagnetism)ZincCrystallographyMetalBenzeneFlexibility (engineering)Group (periodic table)StereochemistryNanotechnologyPolymer chemistryOrganic chemistryAdsorptionComposite materialMaterials science

Abstract

fetched live from OpenAlex

Metal organic frameworks are porous coordination networks that offer tunable structures via modular synthetic routes. It is well established that zinc 3-amino-1,2,4-triazolate (ATz) forms structures with cationic layers. These layers can be pillared by anions to generate pores. We present three new Zn2(ATz)2(A) structures with A = 1,4-benzenedicarboxylate (BDC) pillars, 2-amino-1,4-benzene-dicarboxylate (BDC-NH2) and 2-methyl-1,4-benzenedicarboxylate (BDC-Me) to give the CALF-24 series of metal organic frameworks. Initially, these compounds were prepared to assess their CO2 capture ability and these data are presented. More significantly, comparing these and published ZnATz relatives, primarily from the group of X.M. Chen, we propose that, for layered systems with some flexibility in their bonding, larger pores actually result by pillaring with shorter linkers. While this may seem counterintuitive, a rationale is offered as borne out by the library of existing data. This offers a general concept for making porous materials based on the rigidity of the building units.

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 score0.002
Threshold uncertainty score0.006

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 communication0.0010.001
Open science0.0010.001
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0020.000

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 head0.011
GPT teacher head0.220
Teacher spread0.209 · 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

Citations7
Published2016
Admission routes2
Has abstractyes

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Same venueCanadian Journal of ChemistrySame topicMetal-Organic Frameworks: Synthesis and ApplicationsFrench-language works237,207