Solid State Structures and Phosphine Exchange Reactions of (1-Me-Indenyl)(PR<sub>3</sub>)Ni−Cl
Bibliographic record
Abstract
The complexes (1-Me-Ind)(PR 3 )Ni−Cl (Ind = indenyl; R = Me ( 2 ), Cy ( 3 ), Bu ( 4 ), and (CH 2 ) 2 (CF 2 ) 5 CF 3 ( 5 )) have been prepared by the direct reaction of the corresponding (PR 3 ) 2 NiCl 2 with Li(1-Me-Ind) or via phosphine exchange reactions with (1-Me-Ind)(PR‘ 3 )Ni−Cl (R‘ = Ph ( 1 ) and Me). Solution NMR and single-crystal X-ray diffraction studies of the structures of 2 and 3 have allowed an analysis of the mode of coordination of the 1-Me-Ind ligand both in the solid state and in solution. Kinetic studies have shown that the substitution of PPh 3 in (1-Me-Ind)(PPh 3 )Ni−Cl by PCy 3 follows a second-order rate (associative mechanism) with the following kinetic parameters: K 2 (× 10 - 2 M - 1 s - 1 ) = 1.1 ± 0.1 at 233 K, 1.9 ± 0.4 at 245 K, 15 ± 2 at 284 K, 21 ± 2 at 293 K, and 34 ± 7 at 303 K; Δ H ⧧ = 6.40 ± 0.07 kcal/mol; Δ S ⧧ = −40 ± 4 eu. The implications of these results for the mechanisms of the polymerization reactions catalyzed by these complexes have been discussed.
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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 | 0.001 |
| 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) | 0.016 | 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".