Organic Polar Crystals and Heteroadamantanes: Synthesis and Characterization
Bibliographic record
Abstract
This thesis describes the synthesis and characterization of heteroadamantane structures, specifically halogenated and metalated derivatives of 1,3,5-triazaadamantane, wherein the halogen or metal bonds at the 7-position. This work demonstrates that 7-chloro-1,3,5-triazaadamantane and 7-bromo-1,3,5-triazaadamantane represent a new class of organic, polar crystals based on a diamondoid-type structural motif. These compounds were shown to produce isostructural crystals, which were analyzed and compared for the attributes typical of compounds within the polar space group R3m. This work also explored the utility of the halo-triazaadamantane molecules by investigating metal substitutions of the halogen. This began with computational data to determine if the materials have potential applications as semi-conductors. This was followed by the synthesis of these metalated derivatives with the objective of crystallizing them as 3-dimensional extended structures. Synthesis of 7-lithio-1,3,5-triazaadamantane was successfully achieved. This thesis explores several new classes of diamondoid materials, with significant potential for future smart material applications.
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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 | 0.001 |
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".