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Record W1981264444 · doi:10.1021/cm0513132

Formation of Porous Aluminophosphate Frameworks Monitored by Hyperpolarized <sup>129</sup>Xe NMR Spectroscopy

2005· article· en· W1981264444 on OpenAlexaff
Devin N. Sears, Bryan A. Demko, Kristopher J. Ooms, Roderick E. Wasylishen, Yining Huang

Bibliographic record

VenueChemistry of Materials · 2005
Typearticle
Languageen
FieldChemistry
TopicAdvanced NMR Techniques and Applications
Canadian institutionsUniversity of AlbertaWestern University
Fundersnot available
KeywordsXenonIsotopes of xenonNuclear magnetic resonance spectroscopySpectroscopyAnisotropyAdsorptionAmorphous solidAnalytical Chemistry (journal)Materials scienceChemistryNoble gasChemical shiftPhysical chemistryCrystallographyOrganic chemistryPhysics

Abstract

fetched live from OpenAlex

The formation of two aluminophosphate frameworks, AlPO 4 -5 and AlPO 4 -18, has been monitored using hyperpolarized 129 Xe NMR as a probe. The reaction progress from an amorphous phase to AlPO 4 -5 and its subsequent conversion to AlPO 4 -18 is observed for xenon adsorbed in samples that have been reacted for varying lengths of time. The extreme sensitivity of 129 Xe chemical shifts to local environments of the xenon leads to separate NMR peaks for xenon adsorbed in the two different aluminophosphate frameworks present in a single reaction mixture. For xenon adsorbed in AlPO 4 -5, an anisotropic 129 Xe NMR line shape at δ iso ≈ 63 ppm is observed, whereas for xenon in AlPO 4 -18, a peak with a small anisotropy at δ iso ≈ 74 ppm is observed. Grand canonical Monte Carlo simulations provide a theoretical description of xenon adsorbed in the two aluminophosphate frameworks, and the resulting simulated 129 Xe NMR line shapes are in good agreement with experimental data. Two-dimensional exchange NMR spectroscopy was used to examine the exchange of xenon between AlPO 4 -5, AlPO 4 -18, and bulk xenon gas. The results indicate that the domains of AlPO 4 -5 are in intimate contact with those of AlPO 4 -18, facilitating a higher intercrystallite exchange than with the bulk xenon gas.

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 categoriesMeta-epidemiology (narrow), Insufficient 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 score0.020
Threshold uncertainty score1.000

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)0.0010.000

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 head0.007
GPT teacher head0.255
Teacher spread0.247 · 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

Citations21
Published2005
Admission routes1
Has abstractyes

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