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Record W2135848193 · doi:10.1139/v09-076

A solid-state <sup>31</sup>P NMR study of 1:1 silver–triphenylphosphine complexes — Interpretation of <sup>1</sup><i>J</i>(<sup>107,109</sup>Ag,<sup>31</sup>P) values<sup>,</sup>

2009· article· en· W2135848193 on OpenAlexafffundvenue
Chen Fu, Se‐Woung Oh, Roderick E. Wasylishen

Bibliographic record

VenueCanadian Journal of Chemistry · 2009
Typearticle
Languageen
FieldChemistry
TopicAdvanced NMR Techniques and Applications
Canadian institutionsAlberta Glycomics CentreUniversity of Alberta
FundersNational Research Council CanadaMokpo National UniversityNatural Sciences and Engineering Research Council of CanadaCanada Research ChairsWestern Canada Research Grid
KeywordsChemistryTriphenylphosphineCrystallographyTetramerPhosphorus-31 NMR spectroscopyPhosphineNuclear magnetic resonance spectroscopyCrystal structureNMR spectra databaseSpectral lineStereochemistry

Abstract

fetched live from OpenAlex

High-resolution solid-state 31 P NMR spectroscopy was used to investigate a series of 1:1 silver–triphenylphosphine complexes, [Ph 3 PAgX] n , where X is a monovalent anion and n = 1, 2, 3, 4, or ∞. The 31 P CP MAS NMR spectra reveal the number of distinct phosphorus sites in these complexes as well as the | 1 J( 109 Ag, 31 P)| values, which range from 401 ± 10 Hz (X = N 3 – ) to 869 ± 10 Hz (X = SO 3 CF 3 – ). The data obtained here and in earlier investigations indicate that | 1 J( 109 Ag, 31 P)| values for silver–tertiary phosphine complexes decrease as Ag–P bond lengths increase. This experimental conclusion is supported by DFT calculations, which also indicate that the Fermi-contact mechanism is the only important spin–spin coupling mechanism for 1 J( 109 Ag, 31 P) in these complexes. In addition, the crystal structure of a silver–triphenylphosphine trifluoroacetate tetramer was determined using X-ray crystallography, and the structure of a silver–triphenylphosphine chloride tetramer was reinvestigated.

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)0.001
metaresearch head score (Gemma)0.001
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Research integrity, Insufficient payload (model declined to judge)
Consensus categoriesMeta-epidemiology (narrow)
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Simulation or modeling · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.459
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.001
Meta-epidemiology (narrow)0.0020.002
Meta-epidemiology (broad)0.0030.001
Bibliometrics0.0010.002
Science and technology studies0.0010.001
Scholarly communication0.0000.001
Open science0.0030.000
Research integrity0.0010.003
Insufficient payload (model declined to judge)0.0020.000

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 head0.272
Teacher spread0.261 · 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; both teacher heads agree on what is shown here.

Study designSimulation or modeling
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

Citations14
Published2009
Admission routes3
Has abstractyes

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