Lewis Acidity of Pt-Doped Buckybowls, Fullerenes, and Single-Walled Carbon Nanotubes
Bibliographic record
Abstract
The Lewis acidic character of alkyl- and arylplatinum complexes has been investigated within density functional theory with an emphasis on supramolecular structures (e.g., buckybowls, fullerenes, and nanotubes) doped with Pt atoms. By selective substitution of a single atom within a larger carbon framework with a Pt atom, the resulting species demonstrate a strong preference for interaction with small organic molecules, particularly polar substances via a Lewis acid/Lewis base complexation. Coordination with CO and maleic anhydride offers a gauge of comparing the Lewis acidity of these alkyl- and arylplatinum complexes. We have also examined the use of these organometallic species as catalysts for the Diels−Alder reaction and have found that curved π-conjugation and delocalization of electrons offer modest rate enhancements and improvements in selectivity. Preliminary results suggest that extended molecular architectures such as Pt-doped nanotubes may provide selectivities that differ from that of traditional Lewis acid catalysts.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot 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.
Distilled classifier scores by category (both heads)
| 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) | 0.001 | 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 source (direct Gemma or distilled Codex), 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".