Exact calculation of the response of a quadrupolar nucleus to radio frequency irradiation
Bibliographic record
Abstract
The effect of a pulse in NMR is usually considered as a rotation of the frame of reference of the spin system. For spins-1/2, this concept is an important and very useful tool. The assumption behind this concept is that while the radio frequency irradiation is on, this term dominates all other interactions. Although this is usually true for spins-1/2, typical interactions for a quadrupolar nucleus can be very large and the assumption is no longer valid. The full solution is complex, but two extreme cases are already solved. If the quadrupole interaction is very small, then the assumption is valid and the pulse does act like a rotation of the frame of reference. At the other extreme, if the interaction is large and the spin, I, is half-integral, then the central transition remains relatively narrow and can be treated as a fictitious spin-1/2. The pulse then acts as a rotation, but with a scaling factor of I + 1/2. This paper treats the general case, where no approximations are made. The effects can be observed in a nutation experiment, in which the observed signal is plotted as a function of pulse width, in a simple one-pulse experiment. If the pulse acts as a rotation, then the nutation plot will be a sine wave, but otherwise it will be a sum of sinusoids. This is true even for a single-crystal sample with a single quadrupolar coupling. If the sample is a powder, then the nutation plot will be a sum of many sinusoids, since the quadrupole coupling will vary with the powder average. This paper sketches out the theory of these effects based on a full and exact description of a quadrupolar system and illustrates it with some nutation spectra of 23Na in a powdered sample of sodium nitrate.
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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 | 0.001 | 0.002 |
| 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 | 0.001 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.001 | 0.001 |
| Insufficient payload (model declined to judge) | 0.005 | 0.002 |
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".