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Record W4224244537 · doi:10.1038/s41467-022-29626-5

Symmetry collapse due to the presence of multiple local aromaticity in Ge244−

2022· article· en· W4224244537 on OpenAlexfundno aff
Hong‐Lei Xu, Nikolay V. Tkachenko, Dariusz W. Szczepanik, Ivan A. Popov, Alvaro Muñoz‐Castro, Alexander I. Boldyrev, Zhong‐Ming Sun

Bibliographic record

VenueNature Communications · 2022
Typearticle
Languageen
FieldChemistry
TopicFullerene Chemistry and Applications
Canadian institutionsnot available
FundersTianjin Research Innovation Project for Postgraduate StudentsNatural Science Foundation of Tianjin CityNational Natural Science Foundation of ChinaUniversity of AkronCanadian Centre for Applied Research in Cancer ControlNarodowym Centrum NaukiUniversity of Utah
KeywordsDelocalized electronCluster (spacecraft)AromaticityAtomic orbitalChemical physicsAtom (system on chip)CrystallographyMolecular physicsElectronIcosahedral symmetrySpectroscopyFullereneChemistryMaterials scienceAtomic physicsPhysicsMoleculeQuantum mechanics

Abstract

fetched live from OpenAlex

Abstract Understanding the structural changes taking place during the assembly of single atoms leading to the formation of atomic clusters and bulk materials remains challenging. The isolation and theoretical characterization of medium-sized clusters can shed light on the processes that occur during the transition to a solid-state structure. In this work, we synthesize and isolate a continuous 24-atom cluster Ge 24 4− , which is characterized by X-ray diffraction analysis and Energy-dispersive X-ray spectroscopy, showing an elongated structural characteristic. Theoretical analysis reveals that electron delocalization plays a vital role in the formation and stabilization of the prolate cluster. In contrast with carbon atoms, 4 s orbitals of Ge-atoms do not easily hybridize with 4p orbitals and s-type lone-pairs can be localized with high occupancy. Thus, there are not enough electrons to form a stable symmetrical fullerene-like structure such as C 24 fullerene. Three aromatic units with two [Ge 9 ] and one [Ge 6 ] species, connected by classical 2c-2e Ge-Ge σ-bonds, are aligned together forming three independent shielding cones and eventually causing a collapse of the global symmetry of the Ge 24 4− cluster.

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 categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.456
Threshold uncertainty score0.491

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.001
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0020.001
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0000.000

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 head0.278
Teacher spread0.261 · 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.

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

Citations18
Published2022
Admission routes1
Has abstractyes

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