A 2D deuterium NMR study of molecular reorientation in (CH<sub>3</sub>)<sub>3</sub>E<sup>+</sup>X<sup>-</sup> onium salts
Bibliographic record
Abstract
Two dimensional deuterium NMR measurements are reported for three different onium salts (CH 3 ) 3 SeNO 3 -d 3 , (CH 3 ) 3 TeI-d 3 , and (CH 3 ) 3 SI-d 9 . In these molecular solids with the general structure (CH 3 ) 3 E + X - , three methyl groups are attached to the E atom. There is the possibility of reorientation of the methyls about their C 3 axes and reorientation of the whole tri-methyl group about the C' 3 axis. From an analysis of the 2D NMR exchange spectra the angle between the E-C bonds and the rotation axis for trimethyl reorientation were determined. Exchange rates and spin lattice relaxation times are given for several temperatures, to show how the mixing times for the experiments were selected. The data presented for (CH 3 ) 3 TeI-d 3 , demonstrate that 2D techniques are sensitive to motions on a time scale an order of magnitude slower than that accessible using 1D line shape techniques.Key words: deuterium NMR, molecular motion, onium salts, two dimensional spectra.
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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) | 0.001 | 0.001 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.001 | 0.002 |
| 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".