Yttrium Complexes of a Phenanthrene-Fused Cyclopentadienyl: Synthetic, Structural, and Reactivity Studies
Bibliographic record
Abstract
The tris-alkyl complex Y(CH 2 SiMe 3 ) 3 (THF) 2 reacts with 1,2,3-trimethyl-1 H -cyclopenta[ l ]phenanthrene (PCp*H) to give (PCp*)Y(CH 2 SiMe 3 ) 2 (THF) ( 1 ), characterized structurally by X-ray crystallography. VT NMR spectra of 1 reveal a dynamic equilibrium between the THF-free and mono(THF) solvate in solution. Complex 1 undergoes substitution of THF by 2,2′-bipyridine (bipy) to give (PCp*)Y(CH 2 SiMe 3 ) 2 (bipy) ( 2 ); the latter complex does not undergo ligand exchange in solution. Insertion reactions of 1 with CO 2, Me 3 SiNCO, and Me 2 CHN═C═NCHMe 2 afford (PCp*)Y[ κ 2 -(O,O)-O 2 C(CH 2 SiMe 3 )] 2 ( 3 ), (PCp*)Y[κ 2 -(N,O)-(Me 3 Si)NC(CH 2 SiMe 3 )O] 2 ( 4 ), and (PCp*)Y[ κ 2 -(N,N)-(Me 2 CH)NC(CH 2 SiMe 3 )N(CHMe 2 )] 2 ( 5 ). Reaction of 1 with 2 equiv of Me 3 SiCCH affords a terminal bis(acetylide) (PCp*)Y(CCSiMe 3 ) 2 (THF) ( 6 ) in solution; however, X-ray analysis of crystals obtained from a solution of 6 shows that it dimerizes to {[(PCp*)Y(CCSiMe 3 )(THF)] 2 (μ-CCSiMe 3 ) 2 } ( 7 ). A toluene solution of complex 1 and 1 equiv of [Ph 3 C] + [B(C 6 F 5 ) 4 ] − shows modest catalytic activity for the polymerization of ethylene at room temperature (20 kg mol −1 h −1 bar −1 ).
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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 | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.001 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.004 | 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 teacher head, 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".