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 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) | 0.000 | 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) | 0.049 | 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".