Synthesis and Characterization of Nitro‐, Trinitromethyl‐, and Fluorodinitromethyl‐Substituted Triazolyl‐ and Tetrazolyl‐trihydridoborate Anions
Bibliographic record
Abstract
Abstract The problem of preparing energetic, exclusively mono‐azolyl substituted hydridoborate anions in high yield and purity from [BH4]− and nitroazoles by hydrogen elimination was overcome by reacting the corresponding nitroazolate anions with the BH3 adducts BH3⋅S(CH3)2 or BH3⋅THF. The highly‐energetic, nitro‐, trinitromethyl‐, and fluorodinitromethyl‐ substituted triazolyl‐ and tetrazolyl‐trihydridoborate anions were synthesized in this manner and characterized by vibrational and multinuclear NMR spectroscopy and their crystal structures. The use of excess BH3 resulted in some cases in the addition of a second BH3 molecule bound more‐weakly to one of the nitrogen atoms of the azole ring. All monoazolyl‐trihydridoborates were thermally less stable than the parent azolate anions. A decomposition product of tetraphenylphosphonium (5‐(trinitromethyl)‐5H‐2λ4‐tetrazol‐2‐yl)trihydridoborate, the tetraphenyl‐phosphonium (dinitro‐1H‐tetrazol‐5‐yl)methanide monohydrate, was also structurally characterized, providing some insight into the decomposition pathways of the nitromethyl‐substituted azolyltrihydridoborate anions.
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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) | 0.001 | 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".