[Cp<sub>2</sub>TiCH<sub>2</sub>CH<sub>2</sub>(SiEt<sub>2</sub>CHMe<sub>2</sub>)]<sup>+</sup>, an Alkyl-titanocene(IV) Complex Containing an Unconventional Ti←C(β)-Si Mode of Bonding
Bibliographic record
Abstract
Abstract The compound [Cp2Ti(Me)(CD2Cl2)][B(C6F5)4] reacts with triethylvinylsilane (TEVS) to give the γ-agostic σ-alkyl complex [Cp2TiCH2CHMe(SiEt3)]+ (IV), the product of a single 1,2-insertion of TEVS into the Ti-Me bond. On heating, complex IV undergoes a CH bond activation process to give the isomeric species [Cp2TiCH2CH2(SiEt2CHMe2)]+ (V) in which a Ti–C(β) interaction (Ti←C(β)-Si) is facilitated by an unusual γ-silyl effect. The structures of IV and V and the nature of the isomerization process were explored by DFT methods which suggest that isomerization proceeds via an intramolecular 1,5-σ bond metathesis reaction which involves ε-agostic interactions.
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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) | 0.023 | 0.002 |
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".