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Record W4225166711 · doi:10.1021/jacsau.2c00004

NHC-Stabilized Au<sub>10</sub> Nanoclusters and Their Conversion to Au<sub>25</sub> Nanoclusters

2022· article· en· W4225166711 on OpenAlexafffund
Paul A. Lummis, Kimberly M. Osten, Tetyana I. Levchenko, Maryam Sabooni Asre Hazer, Sami Malola, Bryan Owens‐Baird, Alex J. Veinot, Emily L. Albright, G. Schatte, Shinjiro Takano, Kirill Kovnir, Kevin G. Stamplecoskie, Tatsuya Tsukuda, Hannu Häkkinen, Masakazu Nambo, Cathleen M. Crudden

Bibliographic record

VenueJACS Au · 2022
Typearticle
Languageen
FieldMaterials Science
TopicNanocluster Synthesis and Applications
Canadian institutionsQueen's University
FundersDivision of Materials ResearchJapan Society for the Promotion of ScienceNatural Sciences and Engineering Research Council of CanadaNagoya UniversityAcademy of FinlandCore Research for Evolutional Science and TechnologyAmerican Chemical Society Petroleum Research FundNational Science Foundation
KeywordsNanoclustersChemistryHalideBromideCluster (spacecraft)IodideCarbeneDerivative (finance)Quantum yieldAbsorption spectroscopyPhotoluminescenceCrystallographyPhotochemistryPhysical chemistryInorganic chemistryMaterials scienceOrganic chemistryCatalysisFluorescencePhysics

Abstract

fetched live from OpenAlex

High Resolution Image Download MS PowerPoint Slide Herein, we describe the synthesis of a toroidal Au 10 cluster stabilized by N -heterocyclic carbene and halide ligands via reduction of the corresponding NHC–Au–X complexes (X = Cl, Br, I). The significant effect of the halide ligands on the formation, stability, and further conversions of these clusters is presented. While solutions of the chloride derivatives of Au 10 show no change even upon heating, the bromide derivative readily undergoes conversion to form a biicosahedral Au 25 cluster at room temperature. For the iodide derivative, the formation of a significant amount of Au 25 was observed even upon the reduction of NHC–Au–I. The isolated bromide derivative of the Au 25 cluster displays a relatively high ( ca . 15%) photoluminescence quantum yield, attributed to the high rigidity of the cluster, which is enforced by multiple CH−π interactions within the molecular structure. Density functional theory computations are used to characterize the electronic structure and optical absorption of the Au 10 cluster. 13 C-Labeling is employed to assist with characterization of the products and to observe their conversions by NMR spectroscopy.

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 score0.004
Threshold uncertainty score0.009

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 head0.012
GPT teacher head0.216
Teacher spread0.204 · 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

Citations56
Published2022
Admission routes2
Has abstractyes

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