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Record W4244767713 · doi:10.1002/cplu.201600270

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

2016· article· en· W4244767713 on OpenAlexafffund
Steven P. Kelley, Parker D. McCrary, Luis Flores, Edward B. Garner, David A. Dixon, Robin D. Rogers

Bibliographic record

VenueChemPlusChem · 2016
Typearticle
Languageen
FieldMedicine
TopicBoron Compounds in Chemistry
Canadian institutionsMcGill University
FundersAir Force Office of Scientific ResearchBasic Energy SciencesU.S. Air ForceCanada Research ChairsCanada Excellence Research Chairs, Government of CanadaUniversity of Alabama
KeywordsChemistryTautomerProtonationBoranesDissociation (chemistry)Hydrogen storageIonic bondingIonic liquidIonBond-dissociation energyComputational chemistryPhysical chemistryCrystal structureMoleculeBoronHydrogenCrystallographyOrganic chemistry

Abstract

fetched live from OpenAlex

Abstract Boranes and boron hydrides are well known for their novel molecular structures and useful chemical reactivity, with [B9H14]− notable in particular for its ease of isolation, unusual structure, and tautomerization. We report an experimental and theoretical investigation of the structure of [B9H14]− and the energetics of some of its reactions. Salts of [B9H14]− 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 [B9H14]− not previously observed in the solid state. Heats of formation and acid dissociation constants of [B9H14]− and closely related structures were calculated. The results suggest a mechanism for particularly energetic hypergolic ignition induced by protonation and suggest potential for reversible H2 storage. These results encourage further investigation of [B9H14]− as an energy‐storage medium in ionic systems.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not 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.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.005
Threshold uncertainty score0.016

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0010.001
Scholarly communication0.0000.000
Open science0.0010.000
Research integrity0.0010.000
Insufficient payload (model declined to judge)0.0050.000

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.

Opus teacher head0.015
GPT teacher head0.258
Teacher spread0.243 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
Domainnot available
GenreEmpirical

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".

Quick stats

Citations11
Published2016
Admission routes2
Has abstractyes

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