Natural abundance 13C and 15N solid-state NMR analysis of paramagnetic transition-metal cyanide coordination polymers
Bibliographic record
Abstract
The (13)C and (15)N MAS NMR spectra of a series of well-characterized paramagnetic metal cyanide coordination polymers are acquired at natural abundance, without the need for polarization transfer methods such as cross-polarization or INEPT. For systems where the paramagnetic centre is outside of the cyanide framework, well-resolved (13)C and (15)N spectra of cyanide ligands are obtained. Chemical shifts deviate from typical diamagnetic cyanide ranges and depend only partly on the cyanide coordination type, being dominated by their proximity to the paramagnetic center. A combination of the observed isotropic chemical shifts, their temperature dependence, and transverse relaxation time constants (T(2)) provides valuable local structural information and lays the foundation for the structural elucidation of unknown paramagnetic metal-cyanide coordination polymers. Toward this end, we apply these solid-state NMR techniques to a pair of compounds without a priori knowledge of the structures.
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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".