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Record W4293366392 · doi:10.1002/cphc.202200587

Hitting the Bull's Eye: Stable HeBeOH<sup>+</sup> Complex

2022· article· en· W4293366392 on OpenAlexaff
Gai‐ru Yun, Hai‐xia Li, José Luis Cabellos, William Tiznado, Zhong‐hua Cui, Sudip Pan

Bibliographic record

VenueChemPhysChem · 2022
Typearticle
Languageen
FieldChemistry
TopicInorganic Fluorides and Related Compounds
Canadian institutionsMinistry of Education and Child Care
FundersNational Natural Science Foundation of ChinaAgenția Națională pentru Cercetare și Dezvoltare
KeywordsNeonHeliumAtomic physicsChemistryAtomic orbitalIonizationBond strengthNoble gasArgonElectronPhysicsNuclear physicsIon

Abstract

fetched live from OpenAlex

Abstract It is now known that the heavier noble gases (Ng=Ar‐Rn) show some varying degrees of reactivity with a gradual increase in reactivity along Ar−Rn. However, because of their very small size and very high ionization potential, helium and neon are the hardest targets to crack. Although few neon complexes are isolated at very low temperatures, helium needs very extreme situations like very high pressure. Here, we find that protonated BeO, BeOH+ can bind helium and neon spontaneously at room temperature. Therefore, extreme conditions like very low temperature and/or high pressure will not be required for their experimental isolation. The Ng−Be bond strength is very high for their heavier homologs and the bond strength shows a gradual increase from He to Rn. Moreover, the Ng−Be attractive energy is almost exclusively originated from the orbital interaction which is composed of one Ng(s/pσ)→BeOH+ σ‐donation and two weaker Ng(pπ)→BeOH+ π‐donations, except for helium. Helium uses its low‐lying vacant 2p orbitals to accept π‐electron density from BeOH+. Previously, such electron‐accepting ability of helium was used to explain a somewhat stronger helium bond than neon for neutral complexes. However, the present results indicate that such π‐back donations are too weak in nature to decide any energetic trend between helium and neon.

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 score0.007
Threshold uncertainty score0.024

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 studies0.0010.000
Scholarly communication0.0000.000
Open science0.0010.001
Research integrity0.0010.000
Insufficient payload (model declined to judge)0.0070.001

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.

Opus teacher head0.014
GPT teacher head0.221
Teacher spread0.206 · 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

Citations3
Published2022
Admission routes1
Has abstractyes

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