Activation of the dimers and tetramers of metal amidinate atomic layer deposition precursors upon adsorption on silicon oxide surfaces
Bibliographic record
Abstract
The gas-phase structure of three copper amidinate compounds, copper(I)-N,N′-di-sec-butyl-acetamidinate (1), copper(I)-N-sec-butyl-2-iminopyrrolidinate (2), and copper(I)-N-tert-butyl-5,5-dimethyl-2-iminopyrrolidinate (3), and their initial adsorption on silicon oxide surfaces, were characterized by a combination of experimental measurements and density-functional theory (DFT) calculations. These compounds have previously been shown to crystallize in dimeric or tetrameric form, and liquid-injection field desorption ionization mass spectrometry data proved that such structures are retained upon vaporization into the gas phase (dimers for the first and third compounds, a tetramer for the second). Results from DFT calculations of the relative energies of formation of the monomers, dimers, and tetramers confirmed the experimental results. Adsorption on the surface of silicon oxide films was determined, based on additional DFT calculations, to lead to the binding of the copper amidinates preferentially as dimers; although the monomers form stronger bonds to the silicon surface because they bind directly through their copper atom, this cannot fully compensate for the large energy required to break the dimers apart. N 1s x-ray photoelectron spectroscopy data were used to corroborate both the presence of the dimers on the surface with the second (2) precursor and the threshold for their surface decomposition around room temperature. The behavior of the third compound is somewhat more complex, with some decomposition possibly happening immediately upon adsorption at 100 K.
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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 | 0.001 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.000 | 0.001 |
| Scholarly communication | 0.000 | 0.001 |
| 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".