Mechanisms of N-Heterocyclic Carbene Complex Lattice Formation
Bibliographic record
Abstract
N-Heterocyclic carbenes (NHCs) that have wingtip groups with low steric bulk, such as 1,3-dimethyl-benzimidazol-2-ylidene (NHC Me ), form bis-complexes with metal atoms when they are deposited onto Au(111) surfaces in vacuo . These complexes self-assemble into three different lattices: a herringbone, a double-herringbone, and a chiral kagome lattice. The static properties of these lattices have been studied with scanning tunneling microscopy and ab initio theoretical methods. Dynamic processes including complex center displacement and hindered monomer motion have also been observed. Our results suggest that in addition to surface hopping, exchange processes are important, providing a facile mechanism for atom exchange between the overlayer and the metal. These dynamic processes are well-known from studies of metal epitaxy but have not previously been discussed in the context of NHC self-assembly.
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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) | 0.000 | 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 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".