Solution-Phase Structure and Bonding of Au<sub>38</sub>(SR)<sub>24</sub> Nanoclusters from X-ray Absorption Spectroscopy
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Bibliographic record
Abstract
Understanding the atomic structure and structure−property relationship of Au−thiolate clusters is essential for advancing their fundamental studies and applications. However, a precise determination of the solution-phase structure and bonding of these clusters, albeit of its paramount importance in synthesis, processing, and applications, is still lacking. We report here solution-phase X-ray absorption spectroscopy (XAS) studies of thiolate-protected Au 38 nanoclusters. A significant bond expansion associated with an increase of Au d-electron density of states (DOS) has been observed upon solvation of Au 38 in toluene. These findings are accounted for by projected DOS calculations, which further illustrate the unique electronic behavior of Au 38 from a site-specific perspective. The impact of these findings on tuning the properties of Au−thiolate clusters is also discussed.
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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) | 0.000 | 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 it