Syntheses and Characterization of W(NC<sub>6</sub>F<sub>5</sub>)F<sub>5</sub><sup>–</sup> and W<sub>2</sub>(NC<sub>6</sub>F<sub>5</sub>)<sub>2</sub>F<sub>9</sub><sup>–</sup> Salts and Computational Studies of the W(NR)F<sub>5</sub><sup>–</sup> (R = H, F, CH<sub>3</sub>, CF<sub>3</sub>, C<sub>6</sub>H<sub>5</sub>, C<sub>6</sub>F<sub>5</sub>) and W<sub>2</sub>(NC<sub>6</sub>F<sub>5</sub>)<sub>2</sub>F<sub>9</sub><sup>–</sup> Anions
Bibliographic record
Abstract
Convenient preparative routes to fluorido[(pentafluorophenyl)imido]tungstate(VI) salts have been developed. The reaction of WF 6 ·NC 5 H 5 or [N(CH 3 ) 4 ][WF 7 ] with C 6 F 5 NH 2 results in quantitative formation of the C 5 H 5 NH + or N(CH 3 ) 4 + salt of the W(NC 6 F 5 )F 5 – anion, respectively. The dissolution of [C 5 H 5 NH][W(NC 6 F 5 )F 5 ] in anhydrous HF results in the formation of [C 5 H 5 NH][W 2 (NC 6 F 5 ) 2 F 9 ]. These salts have been comprehensively characterized in the solid state by X-ray crystallography and Raman spectroscopy and in solution by 19 F and 1 H NMR spectroscopy. The crystal structures of the W(NC 6 F 5 )F 5 – salts reveal conformational differences in the anions, and the 19 F NMR spectra of these salts in CH 3 CN reveal coupling of the axial fluorido ligand to the 14 N nucleus of the imido ligand. In addition, density functional theory (DFT-B3LYP) calculations have been performed on a series of W(NR)F 5 – anions (R = H, F, CH 3, CF 3, C 6 H 5, C 6 F 5 ) and the W 2 (NC 6 F 5 ) 2 F 9 – anion, including gas-phase geometry optimizations, vibrational frequencies, molecular orbitals, and natural bond orbital (NBO) analyses.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot 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.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.002 | 0.001 |
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.
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; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.
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".