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Record W2009302851 · doi:10.1021/jp710336h

Investigations of the Phase Transition and Proton Dynamics in Rubidium Methane Phosphonate Studied by Solid-State NMR

2008· article· en· W2009302851 on OpenAlex
Jason W. Traer, James F. Britten, Gillian R. Goward

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.

Bibliographic record

VenueThe Journal of Physical Chemistry C · 2008
Typearticle
Languageen
FieldMaterials Science
TopicSolid-state spectroscopy and crystallography
Canadian institutionsMcMaster University
Fundersnot available
KeywordsProtonProton NMRChemistryCrystallographyMonoclinic crystal systemSolid-state nuclear magnetic resonanceRubidiumCrystal structurePhase transitionPhosphonatePhase (matter)Nuclear magnetic resonanceStereochemistryOrganic chemistryThermodynamics

Abstract

fetched live from OpenAlex

In search of new solid acid proton conductors, we prepared the solid acid rubidium methane phosphonate (RMP). These crystals have a monoclinic structure ( P 2/ c; a = 9.3452, b = 9.3142, and c = 7.5021 Å; β = 101.12). The salt incorporates a hydrated lamellar structure. The 1 H MAS NMR reveals two different types of acidic protons as well as the water protons in the lamella. The 1 H VT MAS NMR of RMP·2H 2 O single crystal shows a structural phase transition around 320 K, and the high-temperature phase exhibits significant proton dynamics. The proton proximities are established by solid state 1 H DQF NMR. The dehydration of RMP crystal leads to structural collapse, and the resultant RMP powder is extremely hygroscopic. The proton environment and dynamics are examined using 1 H DQF NMR, which reveals that the dehydrated RMP powder has rigid lattice, in contrast with the hydrated form. Further the 1 H VT MAS NMR shows that dehydrated RMP powder has no phase transition, and no significant proton dynamics are observed in the temperature range of 250−350 K. The new hydrated crystal, RMP·2H 2 O, shows high proton mobility at relatively low temperature (∼330 K) and a proton transport mechanism that uniquely relies on crystalline water.

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.

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 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 score0.003
Threshold uncertainty score0.274

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 studies0.0000.001
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 head0.009
GPT teacher head0.265
Teacher spread0.256 · 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