A unique trapping by crystal forces of a hydronium cation displaying a transition state structure
Bibliographic record
Abstract
An hydronium cation has been discovered which is unique among all crystallographic such ions of the Cambridge Database. Of composition H 7 O 3 + it has a structure that is totally different from those classically known with structures H 2 O-H 2 O-H 3 O + and H 2 O-(H 3 O + )-H 2 O. Unlike the crystallographically classical ones, the cation discussed here has a bifurcated hydrogen bond. From a central H 3 O + moiety a single hydrogen bond donor extends to two adjacent water molecules. Quantum chemical calculations in absence of the crystal environment demonstrate that the bifurcated hydrogen bond structure is that of a transition state for the H 7 O 3 + complex. Thus remarkably, it appears that crystal forces have captured the ion in what would otherwise be a short-lived and unstable transition state formation.
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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 | 0.001 | 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".