Effect of Spin-Surface Crossing on the Kinetics of Sequential Ligation of Ru<sup>+</sup> with Ammonia in the Gas Phase at Room Temperature
Bibliographic record
Abstract
Gas-phase measurements of the kinetics for the sequential ligation of Ru + with ammonia at room temperature show an anomalous rise in the rate of addition of the fourth ammonia ligand unlike in the ammonia-ligation kinetics of Mg +, Fe +, and Ag + . The measurements were conducted with an inductively-coupled plasma/ selected-ion flow tube (ICP/SIFT) tandem mass spectrometer. B3LYP/ DZVP calculations of ligation free energies for the ammonia ligation of ground-state Ru + ( 4 F) and of Ru + ( 2 D) indicate a reversal in the relative ligation free energy that favors the ligation of Ru + ( 2 D) in the addition of the fourth ammonia ligand. Since the rate of ligation is dependent on the free energy of ligation, these results are consistent with the occurrence of a spin surface-crossing in the sequential ligation of Ru + ( 4 F) with ammonia.
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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 | 0.002 | 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 | 0.001 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.000 | 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".