A Study of the Methane Catalyzed Isomerization of HCO <sup>+</sup> to HOC <sup>+</sup> and the Elimination of Methane from Metastable Methoxymethyl Cation
Why this work is in the frame
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Bibliographic record
Abstract
Electronic structure calculations on the methane catalyzed HCO + /HOC + potential energy surface have been conducted. The results show that 1,2-proton transfer from C to O can be efficiently catalyzed by CH 4 . The complex CH 4 /HCO + and the closely related species, CH 5 + /CO, are separated from the methoxymethyl cation CH 3 OCH 2 + by a large potential energy barrier. It follows from the calculations that the metastable methoxymethyl cation is very unlikely to dissociate to yield HOC + . New experiments also show that HOC + is not produced to any observable extent. A new explanation is proposed for the composite peak for m/z 29 observed from metastable dissociation of metastable methoxymethyl cation. The two components both arise from the formation of HCO + , but via different transition states. The minor, narrow, component involves dissociation from the CH 5 + /CO complex and the broad peak from the CH 4 /HCO + ion–molecule complex.
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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 | 0.002 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.000 | 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 it