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Record W2982540397 · doi:10.1002/anie.201911861

Microporosity of a Guanidinium Organodisulfonate Hydrogen‐Bonded Framework

2019· article· en· W2982540397 on OpenAlexaff
Ivana Brekalo, David E. Deliz, Leonard J. Barbour, Michael D. Ward, Tomislav Friščić, K.T. Holman

Bibliographic record

VenueAngewandte Chemie International Edition · 2019
Typearticle
Languageen
FieldChemistry
TopicMetal-Organic Frameworks: Synthesis and Applications
Canadian institutionsMcGill University
FundersNational Science Foundation of Sri Lanka
KeywordsSorptionMicroporous materialCrystallographyHydrogen storageChemistryHydrogen bondMetastabilityHydrogenAcetoneMaterials scienceAnalytical Chemistry (journal)Physical chemistryAdsorptionMoleculeChromatographyOrganic chemistry

Abstract

fetched live from OpenAlex

Abstract Guanidinium organosulfonates (GSs) are a large and well‐explored archetypal family of hydrogen‐bonded organic host frameworks that have, over the past 25 years, been regarded as nonporous. Reported here is the only example to date of a conventionally microporous GS host phase, namely guanidinium 1,4‐benzenedisulfonate ( p ‐G 2 BDS ). p ‐G 2 BDS is obtained from its acetone solvate, AcMe@ G 2 BDS , by single‐crystal‐to‐single‐crystal (SC‐SC) desolvation, and exhibits a Type I low‐temperature/pressure N 2 sorption isotherm (SA BET =408.7(2) m 2 g −1 , 77 K). SC‐SC sorption of N 2 , CO 2 , Xe, and AcMe by p ‐G 2 BDS is explored under various conditions and X‐ray diffraction provides a measurement of the high‐pressure, room temperature Xe and CO 2 sorption isotherms. Though p ‐G 2 BDS is formally metastable relative to the “collapsed”, nonporous polymorph, np ‐G 2 BDS , a sample of p ‐G 2 BDS survived for almost two decades under ambient conditions. np ‐G 2 BDS reverts to z CO 2 @ p ‐G 2 BDS or y Xe@ p ‐G 2 BDS ( y,z =variable) when pressure of CO 2 or Xe, respectively, is applied.

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 distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesInsufficient payload (model declined to judge)
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 score0.054
Threshold uncertainty score0.978

Codex and Gemma teacher scores by category

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)0.0230.000

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 head0.245
Teacher spread0.233 · 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 teacher head, not a consensus.

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

Citations70
Published2019
Admission routes1
Has abstractyes

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