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Record W1970480705 · doi:10.1063/1.1366641

Electronic and geometric properties of exohedral sodium- and gold-fullerenes

2001· article· en· W1970480705 on OpenAlexaff
Bruno Palpant, Yuichi Negishi, Masaomi Sanekata, Ken Miyajima, Satoshi Nagao, Ken Judai, D. M. Rayner, Benoît Simard, P. A. Hackett, Atsushi Nakajima, Koji Kaya

Bibliographic record

VenueThe Journal of Chemical Physics · 2001
Typearticle
Languageen
FieldChemistry
TopicFullerene Chemistry and Applications
Canadian institutionsSteacie Institute for Molecular Sciences
Fundersnot available
KeywordsFullereneX-ray photoelectron spectroscopyCluster (spacecraft)ChemistryElectronic structureMagic number (chemistry)SodiumElectron affinity (data page)Binding energyAtomic physicsCrystallographyChemical physicsMoleculeComputational chemistryNuclear magnetic resonancePhysicsOrganic chemistry

Abstract

fetched live from OpenAlex

The electronic and geometric properties of gas-phase exohedral C60NaN−, C70NaN−, and C60AuN− cluster anions are investigated. Time-of-flight mass spectrometry and photoelectron spectroscopy (PES) reveal complex-specific arrangements of the sodium and the gold atoms on the fullerene cage. The electron affinity of C60AuN clearly shows even–odd alternation with the number of Au atoms, which suggests a “dry” structure where Au atoms aggregate as a cluster on the C60. In contrast, C60NaN and C70NaN show a “wet” structure having the Na atoms packed into stable trimers on the surface. For C60NaN (N=0 to 4), PES experiments at a high photodetachment energy (5.81 eV) allow us to deduce the net charge transferred from the sodium atoms to the lowest unoccupied molecular orbital of the fullerene. For larger C60NaN, moreover, a metallic transition is shown to occur at N∼13, and analysis of the adiabatic electron affinity variations allows the identification of the first magic sizes corresponding to electronic shell closure in the sodium layer.

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: Theoretical or conceptual · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.002
Threshold uncertainty score0.006

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 studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0020.000

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 head0.017
GPT teacher head0.216
Teacher spread0.199 · 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 designTheoretical or conceptual
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

Citations40
Published2001
Admission routes1
Has abstractyes

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Same venueThe Journal of Chemical PhysicsSame topicFullerene Chemistry and ApplicationsFrench-language works237,207