Theoretical, thermal, and coordination chemistry of the amphoteric thiazate (NSO<sup></sup>)<sup>1</sup> ion
Bibliographic record
Abstract
The isomers of thiazate (NSO) have a rich chemistry that is examined theoretically and experimentally for their thermal and coordination characteristics. The intramolecular isomerization of NSO to monothionitrite (ONS) is predicted (B3LYP/6-311+G*) to have a substantial barrier, greater than 418 kJ mol1. Thus, thiazates are expected to be relatively thermally stable towards isomerization, and DSC indicates that KNSO undergoes a two stage irreversible thermolytic decomposition only beginning at 132 °C with ΔH = 116.3 kJ mol1. As a ligand, the thiazate can adopt a range of geometries in response to the metal's oxidation state and ligand sphere. For example, in Ru(TTP)(NO)(NSO) the ligand has a markedly bent Ru-N-S geometry, and when contrasted with other structurally characterized thiazate coordination compounds, it is concluded that in addition to σ donation the thiazate binds to metals in an amphoteric manner because of either a forward or reverse OSN → M π donation similar to transition metal nitrosyl, amido, and imido complexes.Key words: thiazate, isomerization, thermolysis, amphoteric ligand, coordination chemistry.
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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) | 0.003 | 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".