Assessing the Ligand Properties of NHC‐Stabilised Phosphorus(I) Cations
Bibliographic record
Abstract
Abstract The isolation and full characterisation of a series of cationic metal–carbonyl complexes bearing an N‐heterocyclic carbene stabilised phosphorus(I) ligand are reported. Specifically, the mononuclear coordination complexes [LM(CO)5][BPh4] (M=Cr, Mo, W), [LFe(CO)4][BPh4] and the dinuclear complexes [LMn2(CO)8][BPh4] and [LCo2(CO)6][BPh4], in which L=[bis(1,3,4,5‐tetramethylimidazol‐2‐ylidene)phosphanide]+, have all been isolated in the solid state and structurally confirmed by single‐crystal X‐ray diffraction. The dicationic platinum complex trans‐[L2PtCl2][BPh4]2 is also reported and fully characterised. The donor ability of [L]+ has been assessed by IR spectroscopy of its metal–carbonyl complexes and by using DFT calculations. The results suggest that [L]+ is a weak π‐acceptor with moderate donor strength and thus it bridges the gap that exists between phosphines and amines in terms of ligand properties. Collectively, these molecules represent the first crystallographically characterised cationic metal–carbonyl derivatives of a PI‐centred ligand and are a rare collection of cationic metal–carbonyl complexes.
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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 | 0.000 |
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; 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".