Electron Paramagnetic Resonance Spectroscopic Evidence for the Interaction of HAlOH with Water Molecules
Bibliographic record
Abstract
The complex HAlOH:(H(2)O) has been detected by matrix-isolation IR spectroscopy. This complex was speculated to be the species responsible for the chemiluminescent glow associated with the explosion of trimethyl aluminum or aluminum grenades in the upper atomosphere. Theoretical studies suggest that HAlOH:(H(2)O)(n) is a critical precursor in the formation of H(2) in the reaction of Al with liquid water. In our study, Al atoms were reacted with mixtures of D(2)O/He or H(2)(17)O/He in an adamantane matrix in a metal-atom reactor, known as a rotating cryostat, maintained at 77 K and at <10(-6) Torr. In addition to DAlOD and HAlOH, which formed from the reaction of Al atoms with adventitious water, EPR analysis of the Al-D(2)O/He reaction mixture from 77 to 290 K showed that HAlOH:(D(2)O) and DAlOD:(D(2)O) formed. The experimental nuclear hyperfine interactions (hfis) for these species were in close agreement with those calculated using the B3LYP density functional method and the 6-311+G(2df,p) basis set. The effect of complexation is to lower the Al hfi of HAlOH and DAlOD by ca. 8%, the H hfi of HAlOH by ca. 28%, and the D hfi of DAlOD by ca. 35%.
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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".