Enantiopure Chiral Au<sub>13</sub> Nanoclusters Stabilized by Ditopic <i>N</i>-Heterocyclic Carbenes: Synthesis, Characterization, and Electrocatalytic Reduction of CO<sub>2</sub>
Bibliographic record
Abstract
A series of chiral Au 13 nanoclusters were synthesized via the direct reduction of chiral dinuclear Au(I) halide complexes ligated by chiral dioxalone-linked bis- N -heterocyclic carbene (bisNHC) ligands. Electrospray ionization mass spectrometry, nuclear magnetic resonance spectroscopy, and density functional theory (DFT) calculations confirmed the molecular formula to be [Au 13 (bisNHC) 4 I 4 ] +, with a chiral arrangement of the four ditopic NHC ligands around the icosahedral Au 13 core. Circular dichroism (CD) spectroscopy of the two enantiomers of the Au 13 clusters shows distinct mirror images of the enantiomers and supports chirality transfer from ligands to the metal core. A plausible model structure was built with the assistance of theoretical analysis, and DFT calculations were employed to explain the origin of the optical and CD activities and their dependence on the binding arrangement of the ditopic bisNHC ligands. The clusters show remarkable stability with minimal decomposition in various solutions both at elevated and room temperatures. The potential of these clusters as nanocatalysts in the electrocatalytic reduction of CO 2 to CO is described.
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How this classification was reachedexpand
Full frame distilled prediction
Teacher imitationNot 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.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.000 | 0.000 |
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.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one teacher head, not a consensus.
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".