Binuclear ruthenium η<sup>6</sup>-arene complexes with tetradentate N,S-ligands containing the ortho-aminothiophenol motif
Bibliographic record
Abstract
A series of cationic binuclear (η(6)-cymene-Ru)2 complexes with N2S2-ligands were synthesized in 64% to 85% yield by reaction of [Ru(η(6)-cymene)Cl2]2 with bis-S,S'-(ortho-aminothiophenol)-xylenes as BF4(-) and PF6(-) salts. The compounds were studied using NMR, HRMS, UV-vis and IR spectroscopy, EA and inductively coupled plasma (ICP) MS. It was determined that the hinged binuclear Ru complexes were anti and syn diastereomers obtained in 2 : 1 ratio for ortho- and meta-xylylene bridged ligands and in a 1 : 1 ratio for the para-xylylene bridged ligand. An anion effect was found for the presence of NaBF4 with the meta-xylylene bridged system yielding the targeted binuclear Ru complex and a mononuclear Ru complex. This mononuclear S,S'-coordinated η(6)-cymene Ru chloride structure lacked amine-metal coordination and was obtained in a 1 : 3 ratio of anti : syn diastereomers which were insoluble in CH2Cl2 and soluble in DMSO and DMF. X-ray crystallographic analysis was obtained for the N2S2 ligand, 1,2-bis{(2-aminophenyl)thiomethyl}benzene, showing a CS symmetry with amine groups facing outwards with a tilt of 28.95° from the ortho-aminothiophenol pendant ring. The interatomic sulfur-sulfur distance (S-S') is 4.6405 Å within the crystal structure while accommodating a potential metal bite angle from 1.0 Å to 5.9 Å when allowing rotation of the methylene phenyl bond.
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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 | 0.000 | 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 | 0.001 | 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 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".