A Study of the Methane Catalyzed Isomerization of HCO <sup>+</sup> to HOC <sup>+</sup> and the Elimination of Methane from Metastable Methoxymethyl Cation
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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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".