Selected Radical Removal from Proton-Bound Dimers. A Strategy for Studying Solvated Distonic Ions
Bibliographic record
Abstract
The formal ion−molecule pairs [ • CH 2 OH 2 + /CH 3 OH] and [ • CH 2 OH 2 + /H 2 O] were generated by selected radical loss from appropriate proton-bound molecular pairs. The radical loss was activated by keV energy collisions with He in a tandem mass spectrometer, e.g., [CH 3 CH 2 OD 2 + /DOCD 3 ] → [ • CH 2 OD 2 + /CD 3 OD] + CH 3 • . The metastable ion dissociations of the above species and their appropriate deuterium-labeled analogues were recorded. These were the losses of a methyl radical, water, and C,H 3,O from the former pair and losses of water and • CH 2 OH from the latter. The observations showed that the interconversions of ionized methanol and its distonic isomer were catalyzed by the neutral partner molecule. With H 2 O as catalyst, all H atoms are involved in the arrangements that precede metastable dissociations, whereas with methanol as catalyst, its H atoms retain their positional identity. The relationship between these metastable ion systems and the higher energy species involved in bimolecular reaction is discussed in terms of proton-transport catalysis.
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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 | 0.001 |
| 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".