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>
Bibliographic record
Abstract
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.
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How this classification was reachedexpand
Full frame distilled prediction
Teacher imitationNot 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.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.001 | 0.001 |
| Meta-epidemiology (narrow) | 0.002 | 0.002 |
| Meta-epidemiology (broad) | 0.003 | 0.001 |
| Bibliometrics | 0.001 | 0.002 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.000 | 0.001 |
| Open science | 0.003 | 0.000 |
| Research integrity | 0.001 | 0.003 |
| Insufficient payload (model declined to judge) | 0.002 | 0.000 |
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.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; both teacher heads agree on what is shown here.
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".