Structurally Diverse Aggregating Condensations of Ti(IV) Catecholates
Bibliographic record
Abstract
The simple 1:1 reaction of naphthalene-2,3-diol (H2Np) with Ti(OiPr)4 has a complicated outcome, one rich in diversity and elucidated in this paper by X-ray crystallography and NMR spectroscopy. The reaction in CDCl3 produces a crystalline precipitate, which was found to be the symmetrical dimer [TiNp(OiPr)2]2(HOiPr)2 whose coordinated HOiPr units are hydrogen bonded to OiPr groups (A). A second crystal was also harvested and found to be a partially hydrolyzed 6:6 assembly [Ti3(mu3-O)(mu-Np)2(Np)(mu-OiPr)(OiPr)(HOiPr)2(mu-O)]2 (B) constructed of mu-oxo-linked inverted halves, each a 3:3 assembly anchored by a mu3-oxo group. The supernatant was deduced to contain a soluble 3:3 product [TiNp(OiPr)2]3(HOiPr) possessing the same stereochemistry as B and its likely hydrolysis precursor. When A was redissolved, it produced what appeared to be a 4:4 condensation product, which was also present in the supernatant when the reaction was conducted in the presence of HOiPr-absorbing 13X molecular sieves, or when the reaction mixture was heated. In an analogous reaction, Ti(OtBu)4 produced only an A-like dimeric product possessing pentacoordinate metal centers.
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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".