Ligation kinetics as a probe for gas-phase ligand field effects: Ligation of atomic transition metal cations with ammonia at room temperature
Bibliographic record
Abstract
The kinetics of ammonia ligation to atomic first and second row transition metal cations were measured in an attempt to assess the role of ligand field effects in gas-phase ion-molecule reaction kinetics. Measurements were performed at 295 ± 2 K in helium bath gas at 0.35 Torr using an inductively coupled plasma/selected-ion flow tube tandem mass spectrometer. The atomic cations were produced at ca. 5500 K in an inductively coupled plasma source and were allowed to decay radiatively and to thermalize by collisions with argon and helium atoms prior to reaction. A strong correlation was observed across the periodic table between the measured rate coefficients for ammonia ligation and measured/calculated bond dissociation energies. A similar strong correlation is seen with the ligand field stabilization energy. So ligand field stabilization energies should provide a useful predictor of relative rates of ligation of atomic metal ions.
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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 | 0.001 |
| 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 | 0.001 |
| 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".