Organometallic Oxides: Oxidation of the Cubane [(η-C<sub>5</sub>R<sub>5</sub>)Cr(μ<sub>3</sub>-O)]<sub>4</sub> and the Structures and Magnetic Properties of the Salts {[(η-C<sub>5</sub>R<sub>5</sub>)Cr(μ<sub>3</sub>-O)]<sub>4</sub>}{tcnq} and {[(η-C<sub>5</sub>R<sub>5</sub>)Cr(μ<sub>3</sub>-O)]<sub>4</sub>}{BF<sub>4</sub>}
Bibliographic record
Abstract
Differential pulse and current voltammetry for the cubane-like clusters [(η-C 5 R 5 )Cr(μ 3 -O)] 4 (R = H, Me; R 5 = H 4 Me) showed that [(η-C 5 H 4 Me)Cr(μ 3 -O)] 4 and [(η-C 5 Me 5 )Cr(μ 3 -O)] 4 were oxidized to {[(η-C 5 R 5 )Cr(μ 3 -O)] 4 } + and then to {[(η-C 5 R 5 )Cr(μ 3 -O)] 4 } 2+, but [(η-C 5 H 5 )Cr(μ 3 -O)] 4 was oxidized only to {[(η-C 5 H 5 )Cr(μ 3 -O)] 4 } + . Oxidation of [(η-C 5 Me 5 )Cr(μ 3 -O)] 4 ( 1 ) by AgBF 4 or tcnq gave {[(η-C 5 Me 5 )Cr(μ 3 -O)] 4 }{BF 4 } ( 2 ) or {[(η-C 5 Me 5 )Cr(μ 3 -O)] 4 }{tcnq} ( 3 ). It was shown by X-ray diffraction that the average Cr−Cr, Cr−O, and Cr−Cp* distances in 2 and 3 were 0.034(2), 0.007(5), and 0.02(1) Å shorter than those in 1, respectively. Compounds 1, 2, and 3 were antiferromagnetic, with similar intracluster exchange coupling constants, J (−262(23), −211(34), and −266(46) cm - 1, respectively). There was coupling between unpaired electrons on {[(η-C 5 Me 5 )Cr(μ 3 -O)] 4 } + and {tcnq} - in 3 at temperatures below 110 K.
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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) | 0.001 | 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".