Modulation of Electronic Couplings within Ru<sub>2</sub>–Polyyne Frameworks
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Bibliographic record
Abstract
Dimers of [Ru(2)(Xap)(4)] bridged by 1,3,5-hexatriyn-diyl (Xap are 2-anilinopyridinate and its aniline substituted derivatives), [Ru(2)(Xap)(4)](2)(μ-C(6)) (1), were prepared. Compounds 1 reacted with 1 equiv of tetracyanoethene (TCNE) to yield the cyclo-addition/insertion products [Ru(2)(Xap)(4)](2){μ-C≡CC(C(CN)(2))-C(C(CN)(2))C≡C} (2) and 1 equiv of Co(2)(dppm)(CO)(6) to yield the η(2)-Co(2) adducts to the middle C≡C bond, [Ru(2)(Xap)(4)](2)(μ-C(6))(Co(2)(dppm)(CO)(4)) (3). Voltammetric and spectroelectrochemical studies revealed that (i) two Ru(2) termini in 1 are sufficiently coupled with the monoanion (1(-)) as a Robin-Day class II/III mixed valence species; (ii) the coupling between two Ru(2) is still significant but somewhat weakened in 3; and (iii) the coupling between two Ru(2) is completely removed by the insertion of TCNE in 2. The attenuation of electronic couplings in 2 and 3 was further explored with both the X-ray diffraction study of representative compounds and spin-unrestricted DFT calculations.
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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) | 0.000 | 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) | 0.000 | 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 it