Synthesis, Structure, and Ion Pair Dynamics of β-Diketiminato-Supported Organoscandium Contact Ion Pairs
Bibliographic record
Abstract
A rare family of base-free organoscandium alkyl cations stabilized by β-diketiminato ligands (Ar)NC(R)CHC(R)N(Ar) (Ar = 2,6- i Pr-C 6 H 3; R = CH 3 (L Me ), R = t Bu (L t Bu )) has been prepared by reaction of LScR 2 with perfluorinated boranes B(C 6 F 5 ) 3 and (C 12 F 8 )B(C 6 F 5 ). While the L Me ancillary lacked sufficient steric bulk to prevent C 6 F 5 transfer to the metal center, the L t Bu derivatives were quite robust in solution. Although these species were subject to thermal decomposition via metalation of an isopropyl group and loss of RH (Δ S ⧧ = −7.0(7) eu and Δ Η ⧧ = 21.5(2) kcal mol - 1 ), the process was not sufficiently rapid to hinder the development of their rich organometallic chemistry. The solution and solid state structures were studied in detail, revealing the presence of both exo - and endo -MeB(Ar F ) 3 isomers if the metal alkyl was small. Detailed NMR studies (low-temperature EXSY) allowed for observation of both inter- and intramolecular ion pair reorganization processes, whose mechanism is discussed in terms of the involvement of “solvent separated ion pairs”. This is the first such study involving non-metallocenium group 3 metal based ion pairs.
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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) | 0.001 | 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".