Structural and Theoretical Study of Salts of the [B<sub>9</sub>H<sub>14</sub>]<sup>−</sup> Ion: Isolation of Multiple Isomers and Implications for Energy Storage
Why this work is in the frame
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Bibliographic record
Abstract
Abstract Boranes and boron hydrides are well known for their novel molecular structures and useful chemical reactivity, with [B 9 H 14 ] − notable in particular for its ease of isolation, unusual structure, and tautomerization. We report an experimental and theoretical investigation of the structure of [B 9 H 14 ] − and the energetics of some of its reactions. Salts of [B 9 H 14 ] − with 1‐ethyl‐3‐methylimidazolium and N ‐butyl‐ N ‐methylpyrrolidinium were characterized by single‐crystal X‐ray diffraction and demonstrate the stabilization of an isomer of [B 9 H 14 ] − not previously observed in the solid state. Heats of formation and acid dissociation constants of [B 9 H 14 ] − and closely related structures were calculated. The results suggest a mechanism for particularly energetic hypergolic ignition induced by protonation and suggest potential for reversible H 2 storage. These results encourage further investigation of [B 9 H 14 ] − as an energy‐storage medium in ionic systems.
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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 | 0.001 |
| 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)
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 it