Functional Assessment of the Lewis Acid Strength of Structurally Complex Solid Acids
Bibliographic record
Abstract
A 3D linear scaling relation─connecting elementary 2-butanol C–O bond activation enthalpy, pyridine adsorption enthalpy, and the affinity of metal–oxygen site pairs to hydroxyls as reflected in the interaction enthalpy difference─is established here with combined kinetic and chemical titration techniques, allowing for accurate quantitative assessments of the Lewis acid strength even at low site densities in structurally complex metal oxides and nitrides. This construction is a kinetic-thermodynamic free energy relation─using the measured pyridine adsorption enthalpy as a functional descriptor for the electronic chemical potential of the Lewis site (μ MO ), one could reliably predict its 2-butanol dehydration turnover rate and vice versa. These relations allow for a rapid assessment of the Lewis acid strength on ill-defined solid acid catalysts especially on surfaces containing structural defects with low site densities and those that dynamically reconstruct.
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How this classification was reachedexpand
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 | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.001 |
| Bibliometrics | 0.000 | 0.001 |
| 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) | 0.003 | 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 teacher head, 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".