Gas-phase ion chemistry of Ti(O-<i>i</i>-Pr)<sub>4</sub>
Bibliographic record
Abstract
The positive and negative gas-phase ion chemistry of Ti(O-i-Pr)4 was investigated at low pressures by FT-ICR. The fragment ion, (i-PrO)3Ti-O+=C(H)Me, reacts with the parent neutral by proton transfer and by a nucleophilic additionelimination reaction. The nature of the fragment ion and the ensuing ionmolecule reactions clearly indicate that Ti(O-i-Pr)4 exists as a monomer in the gas phase. In the negative ion mode, F was found to react easily with Ti(O-i-Pr)4 to yield the pentacoordinated complex FTi(O-i-Pr)4 ion. This hypervalent Ti species undergoes a series of sequential fragmentations induced by IR multiphoton excitation. The first step is unusual because two channels are observed by IRMPD: one involves loss of HF, and the other loss of i-PrOH. The subsequent dissociation processes are characterized by progressive elimination of propene giving rise to a number of different titanaoxirane-containing anions with the general formula [(η2-CMe2O)Ti(OH)3n(i-PrO)n]. FTi(O-i-Pr)4 was also observed to undergo multiple alkoxidefluoride exchanges with BF3 leading to the eventual formation of TiF5.Key words: titanium tetraisoproxide, gas-phase ion chemistry, hypervalent Ti, ionmolecule reactions, IRMPD.
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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) | 0.002 | 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".