Agostic Bonding in Pincer Complexes of Ruthenium
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Bibliographic record
Abstract
High-yield preparations have been developed for 16-e square-pyramidal complexes of ruthenium(II) RuCl(CO)[2,6-(CH 2 PBu t 2 ) 2 C 6 H 3 ] ( 1 ), RuHCl[1,3-(CH 2 PBu t 2 ) 2 C 6 H 4 ] ( 2 ), and RuHI[1,3-(CH 2 PBu t 2 ) 2 C 6 H 4 ] ( 3 ). NMR and X-ray studies have revealed strong η 2 CH bonding in the Ru[1,3-(CH 2 PBu t 2 ) 2 C 6 H 4 ] fragment of 2 and 3 . These complexes show stretched agostic C−H bonds, elongated ipso-C−Ru distances, reduced 1 J CH couplings, and large IPR shifts in 1 H NMR. A consistent picture has emerged of a stronger agostic bonding and greater C−H bond activation in the η 2 C−H trans to chloride in 2 . This finding is attributed to stronger π-donor properties of chloride compared to iodide and increased back-donation into the antibonding orbital of the η 2 C−H. Analysis of the X-ray and NMR T 1 data has also indicated the presence of an attractive interaction, dihydrogen bonding, between the agostic C−H hydrogen and neighboring hydride in 2 and 3 .
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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) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.001 |
| 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) | 0.288 | 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 it