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Record W2977462078 · doi:10.1021/jacs.9b09128

Lewis-Base Stabilization of the Parent Al(I) Hydride under Ambient Conditions

2019· article· en· W2977462078 on OpenAlexfundno aff
Soren K. Mellerup, Yun‐Shu Cui, Felipe Fantuzzi, Paul Schmid, James T. Goettel, Guillaume Bélanger‐Chabot, Merle Arrowsmith, Ivo Krummenacher, Qing Ye, Volker Engel, Bernd Engels, Holger Braunschweig

Bibliographic record

VenueJournal of the American Chemical Society · 2019
Typearticle
Languageen
FieldChemistry
TopicSynthesis and characterization of novel inorganic/organometallic compounds
Canadian institutionsnot available
FundersCoordenação de Aperfeiçoamento de Pessoal de Nível SuperiorGovernment of CanadaAlexander von Humboldt-Stiftung
KeywordsChemistryLewis acids and basesDiradicalReactivity (psychology)HydrideLone pairNucleophileSinglet stateFrustrated Lewis pairAluminiumMonomerComputational chemistryCrystallographyPhotochemistryMoleculeOrganic chemistryCatalysisExcited statePolymerAtomic physics

Abstract

fetched live from OpenAlex

Aluminum(III) is inherently electron deficient and therefore acts as a prototypical Lewis acid. Conversely, Al(I) is a rare, nucleophilic variant of aluminum that is thermodynamically unstable under ambient conditions. While attempts to stabilize and isolate Al(I) species have become increasingly successful, the parent Al(I) (i.e, Al-H) remains accessible only under extreme temperatures/pressures or matrix conditions. Here, we report the isolation of the parent Al(I) hydride under ambient conditions via the reduction of a Lewis-base-stabilized alkyldihaloalane. Computational and spectroscopic analyses indicate that the ground-state electronic configuration of this monomeric aluminum species is best described as an Al(I) hydride with non-negligible open-shell Al(III) singlet diradical character. These findings are also supported by reactivity studies, which reveal both the p-centered lone pair donating ability and the hydridic nature of the parent aluminene.

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 distilled prediction

Teacher imitation

Not 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.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesInsufficient payload (model declined to judge)
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 score0.006
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.001
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0010.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0010.000

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 head0.014
GPT teacher head0.246
Teacher spread0.232 · 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 teacher head, not a consensus.

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

Citations72
Published2019
Admission routes1
Has abstractyes

Explore more

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