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Record W2416214886 · doi:10.1021/acs.cgd.6b00570

Hidden Transformations of a Crystalline Sponge: Elucidating the Stability of a Highly Porous Three-Dimensional Metal–Organic Framework

2016· article· en· W2416214886 on OpenAlexafffund
Gabriel Brunet, Damir A. Safin, Ilia Korobkov, Andrea Cognigni, Muralee Murugesu

Bibliographic record

VenueCrystal Growth & Design · 2016
Typearticle
Languageen
FieldChemistry
TopicMetal-Organic Frameworks: Synthesis and Applications
Canadian institutionsUniversity of Ottawa
FundersNatural Sciences and Engineering Research Council of CanadaCanada Foundation for InnovationUniversity of Ottawa
KeywordsCrystallographyOctahedronMaterials scienceMetal-organic frameworkCrystal structureCobaltMetalChemistryChemical engineeringInorganic chemistryAdsorptionPhysical chemistryMetallurgy

Abstract

fetched live from OpenAlex

We present our investigations on the stability of a cobalt thiocyanate-based metal–organic framework (MOF), coordinated by the 2,4,6-tris(4-pyridyl)-1,3,5-triazine (TPT) ligand, which is commonly employed for single-crystal-to-single-crystal guest inclusion. The selected crystalline solid, {[(Co(NCS) 2 ) 3 (TPT) 4 ]· x (solvent)} n, is one emerging MOF currently being utilized as a host for the crystalline sponge method. Our experimental results shed light on two critical structural transformations that should be considered when attempting the revolutionary crystalline sponge method. We demonstrate that when the crystalline sponge is removed from the solution, a remarkable color change from orange to green is observed, yielding a semiamorphous material. Diffuse reflectance and X-ray absorption spectroscopy studies were carried out on this resulting green compound in order to examine the nature of this transformation. Notably, our analyses indicate a change in the coordination environment of the Co II metal centers from octahedral to tetrahedral at the surface of the material. We further report a second structural transformation of the crystalline sponge, which arises from an increase in the local concentration of Co(NCS) 2 and leads to a significant change in the composition and structure of the material, giving a two-dimensional planar sheet network.

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)0.0010.000

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 head0.024
GPT teacher head0.233
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

Citations24
Published2016
Admission routes2
Has abstractyes

Explore more

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