Deuterium NMR Study of the Dynamics of Self-Assembled Hexadecanoate Monolayers on Zirconium Oxide
Bibliographic record
Abstract
Deuterium NMR spectroscopy has been used to probe the dynamics of two samples, 2,2- d 2 -hexadecanoate (HDCA) and perdeuterated HDCA monolayers on nonporous ZrO 2 powder (surface area ∼ 40 m 2 /g) over the temperature range of 180 K to room temperature. The data indicate the presence of a considerable motional gradient in the tethered chain. Line shape simulations were performed on the spectra of 2,2- d 2 -HDCA to extract detailed information on the dynamic processes involved. These quantitative line shape analyses clearly show that, over the whole temperature range studied, the C2 D bonds have substantial motional freedom with respect to the characteristic 2 H NMR time scale. In addition, at each temperature, a weighted superposition of several simulated line shapes with different rates and site populations is required to account for the observed spectral features, indicating the presence of considerable motional heterogeneity within the hexadecanoate monolayers. The results will be compared with dynamic behaviors of other self-assembled monolayers (SAMs), particularly those of alkylthiolate SAMs on gold nanoparticles and phosphonate SAMs on ZrO 2 powder. Attempts will be made to delineate the effects of various factors on the alkyl chain dynamics.
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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".