T1 T2* Relaxation Time Correlation NMR Monitoring of the Mechanochemical Formation of Quinoxaline Derivatives
Bibliographic record
Abstract
Despite the increased use of mechanochemistry for chemical reactions few options for reaction monitoring or solid state analysis are available. This work explores using T1 T2* 1H NMR to monitor the reaction between benzil or 4,4’ dimethybenzil with o phenylenediamine. For both reactions, the T1 T2* correlation plots show differences in relaxation times throughout the reaction. This work demonstrates using two different strageties to monitor the reaction progression. In the first case the reaction is monitered by the appearance of signals corresponding to the product, and side product water. In the second case the reaction is monitored by the replacement of the signals corresponding to the starting material, by signals corresponding to the product. This magnetic resonance correlation measurement provides an excellent option for whole sample solid state analysis by virtue of its simplicity and versatility.
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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 | 0.001 |
| 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 | 0.001 | 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 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".