Dynamics of Octadecylphosphonate Monolayers Self-Assembled on Zirconium Oxide: A Deuterium NMR Study
Bibliographic record
Abstract
Deuterium NMR spectroscopy has been used to probe the dynamics of deuterated octadecylphosphonate (−1,1−d 2 ) (ODPA−d 2 ) monolayers on nonporous ZrO 2 powder (surface area ≈ 40 m 2 /g) over the temperature range of 200−340 K. At 200 K, a broadened Pake doublet with distinct nonrigid characteristics and a horn splitting of approximately 120 kHz was observed. With increasing temperature, the 2 H spectrum gradually transforms into a relatively narrow and featureless peak. Spectral simulations are performed with the help of plausible motional models, and the results show that, over the whole temperature range studied, the C 1 −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 ODPA monolayers. The results are further discussed in terms of the known characteristics of the ZrO 2 surface and of the conformational transitions in the octadecyl chain.
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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".