An experimental and computational investigation of the formation and structures of N-hydro and N,N'-dihydro-benzo-2,1,3-chalcogenadiazolium chlorides
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Bibliographic record
Abstract
The conjugate acids of benzo-2,1,3-selena- and benzo-2,1,3-telluradiazole are the simplest members of the family of N-substituted chalcogenadiazolium cations. Four crystalline phases that in principle contain such molecular ions were isolated and structurally characterized: CH(NH)TeCl, [CH(NH)][CH(NH)TeCl]Cl, CHN(NH)SeCl and CHN(NH)SeCl · 1/2 [HO]Cl. The stepwise protonation of benzo-2,1,3-teluradiazole in DMSO solution was monitored by H NMR, providing an estimate of the basicity of this molecule relative to pyridine. While most of the structures are consistent with the chalcogen in oxidation state II, the molecular geometry of CH(NH)TeCl is suggestive of oxidation state IV. The relationship between the two structural types was examined with DFT calculations.
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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 | 0.000 |
| 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) | 0.000 | 0.000 |
Machine scores (provisional)
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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 it