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Record W3127931868 · doi:10.1002/ange.202016582

Na<sub>3</sub>SO<sub>4</sub>H – ein erster Vertreter der Materialklasse der Sulfathydride

2021· article· de· W3127931868 on OpenAlexaff
Alexander Mutschke, Guy M. Bernard, Marko Bertmer, Antti J. Karttunen, C. Ritter, Vladimir K. Michaelis, Nathalie Kunkel

Bibliographic record

VenueAngewandte Chemie · 2021
Typearticle
Languagede
FieldMaterials Science
TopicSolid-state spectroscopy and crystallography
Canadian institutionsUniversity of Alberta
FundersAcademy of FinlandDeutsche ForschungsgemeinschaftDeutscher Akademischer AustauschdienstVerband der Chemischen Industrie
KeywordsChemistryTetragonal crystal systemMedicinal chemistryCrystallographyCrystal structure

Abstract

fetched live from OpenAlex

Abstract Die ersten Vertreter einer neuen Klasse gemischt‐anionischer Verbindungen, das Sulfathydrid Na3SO4H und das entsprechende Deuterid Na3SO4D, werden durch die Festkörperreaktion von NaH bzw. NaD mit trockenem Na2SO4 erhalten. Hierfür wird eine genaue Reaktionskontrolle benötigt, da zu harsche Reaktionsbedingungen zur Reduktion des Sulfats zum Sulfid führen. Eine kombinierte Auswertung von Röntgen‐ und Neutronendiffraktometrie zeigt, dass die Verbindung tetragonal mit der Raumgruppe P4/nmm und den Zellparametern a=7.0034(2) Å and c=4.8569(2) Å kristallisiert. Die alleinige Anwesenheit von Hydridionen und die Abwesenheit von Hydroxidionen wird durch Schwingungsspektroskopie im Vergleich zu Spektren, erhalten durch quantenchemische Berechnungen, bewiesen. 1H‐ und 23Na‐Festkörper‐NMR‐Spektren entsprechen der Struktur von Na3SO4H: ein 1H‐Signal bei 2.9 ppm sowie zwei Signale bei 15.0 und 6.2 ppm für zwei ungleiche 23Na‐Positionen. Zusätzlich stützen Elementaranalyse und quantenchemische Berechnungen die experimentellen Befunde.

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 score0.004
Threshold uncertainty score0.015

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)0.0040.001

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 head0.232
Teacher spread0.221 · 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

Citations1
Published2021
Admission routes1
Has abstractyes

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