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Record W2937062376 · doi:10.1021/acs.inorgchem.9b00471

Three Co(II) Metal–Organic Frameworks with Diverse Architectures for Selective Gas Sorption and Magnetic Studies

2019· article· en· W2937062376 on OpenAlexaff
Arun Pal, Santanu Chand, Joan Cano, Francesc Lloret, Jian‐Bin Lin, Shyam Chand Pal, Madhab C. Das

Bibliographic record

VenueInorganic Chemistry · 2019
Typearticle
Languageen
FieldChemistry
TopicMetal-Organic Frameworks: Synthesis and Applications
Canadian institutionsUniversity of Calgary
FundersScience and Engineering Research BoardMinisterio de Economía y CompetitividadUniversity Grants Commission
KeywordsChemistrySorptionMetal-organic frameworkAntiferromagnetismMicroporous materialDimethylformamideDimethylacetamideAdsorptionMoleculeGas separationSolventPhysical chemistryCrystallographyOrganic chemistry

Abstract

fetched live from OpenAlex

Three Co(II) metal–organic frameworks, namely, {[Co 2 (L) 2 (OBA) 2 (H 2 O) 4 ]· x G} n ( 1 ), {[Co(L) 0.5 (OBA)]· x G} n ( 2 ), and {[Co 2 (L) 2 (OBA) 2 (H 2 O)]·DMA· x G} n ( 3 ) [where L = 2,5-bis(3-pyridyl)-3,4-diaza-2,4-hexadiene, H 2 OBA = 4,4′-oxybisbenzoic acid, DMF = dimethylformamide, DMA = dimethylacetamide, and G denotes disordered guest molecules], have been synthesized under diverse reaction conditions through self-assembly of a bent dicarboxylate and a linear spacer with a Co(II) ion. While 1 is crystallized at room temperature in DMF to form a 2D layer structure, 2 is formed by the assembly of similar components under solvothermal conditions with a 3D network structure. On the other hand, changing the solvent to DMA, 3 could be crystallized at room temperature with a 3D architecture. Out of the three, activated sample 2 was found to be permanently microporous in nature, with a BET surface area of 385 m 2 /g, and exhibited moderately high uptake capacity for C 2 H 2 and CO 2 while taking up much less CH 4 and N 2 at ambient conditions. As a result, high ideal adsorbed solution theory (IAST) separation selectivities are obtained for CO 2 /N 2 (15:85), CO 2 /CH 4 (50:50), and C 2 H 2 /CH 4 (50:50) gas mixtures, making 2 a potential candidate for those important gas separations at ambient conditions. Moreover, the magnetic properties of 1 – 3 were studied. 1 and 2 show antiferromagnetic interaction between the Co(II) centers, whereas 3 displays ferromagnetic behavior arising from a counter-complementary effect between two types of links among Co(II) centers in 3 .

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 score0.004

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 head0.012
GPT teacher head0.241
Teacher spread0.229 · 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

Citations43
Published2019
Admission routes1
Has abstractyes

Explore more

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