Synthesis, characterization, and single crystal X-ray structures of [Co<sup>III</sup>(acacen)(thioacetamide)<sub>2</sub>]ClO<sub>4</sub> and [Co<sup>III</sup>((BA)<sub>2</sub>en)(thioacetamide)<sub>2</sub>]PF<sub>6</sub> Solvatochromic properties of [Co<sup>III</sup>(acacen)(thioacetamide)<sub>2</sub>]ClO<sub>4</sub>
Bibliographic record
Abstract
The trans-[Co III (acacen)(ta) 2 ]ClO 4 (1) and trans-[Co III ((BA) 2 en)(ta) 2 ]PF 6 (2) complexes, where H 2 acacen = bis(acetylacetone)ethylenediimine, H 2 (BA) 2 en = bis(benzoylacetone)ethylenediimine, and ta = thioacetamide, have been synthesized by a solid-state method, and characterized by elemental analyses, IR, UVvis, and 1 H NMR spectroscopy. The crystal and molecular structures of 1 and 2 were determined by X-ray crystallography. Both compounds crystallize in the monoclinic space group P2/n. The ClO 4 and PF 6 ions are both disordered, ClO 4 on a twofold axis in 1 and PF 6 on an inversion center in 2. Also bridging N-CH 2 -CH 2 -N is disordered in both compounds. The octahedral coordination of Co(III) is slightly distorted in both cases. The thioacetamide ligands are S-bonded and occupy the axial position. The IR, UVvis, and 1 H NMR spectra of the two complexes and their solvatochromic properties are also discussed. The longest wavelength absorption that appears at 517 nm for 1 and at 528 nm for 2 in chloroform is solvent dependent, and is assigned as a metal-mediated ligand-to-ligand charge transfer (LLCT).Key words: solid-state synthesis, thioactamide, Co(III) (Schiff base), crystal structure, solvatochromism, metal-mediated LLCT.
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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 | 0.007 | 0.005 |
| Meta-epidemiology (narrow) | 0.007 | 0.007 |
| Meta-epidemiology (broad) | 0.011 | 0.004 |
| Bibliometrics | 0.004 | 0.004 |
| Science and technology studies | 0.003 | 0.007 |
| Scholarly communication | 0.002 | 0.005 |
| Open science | 0.004 | 0.001 |
| Research integrity | 0.005 | 0.008 |
| 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 itClassification
machine, unvalidatedMachine predicted; both teacher heads agree on what is shown here.
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".