Synthesis, characterization, crystal structure and DFT calculations of dysprosiumIII - (E)-ethyl-4-(2-hydroxybenzylidene amino)benzoate
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Bibliographic record
Abstract
The luminescent title complex with the formula [Dy(NO 3 ) 3 L 3 (H 2 O)] . C 2 H 5 OH; C 34 H 38 DyN 5 O 17 ( L = ethyl ( E )-4-((2-hydroxybenzylidene)amino)benzoate) ( 1 ) has been prepared and characterized by means of single-crystal X-ray diffraction, FTIR, UV–vis and PL. The Schiff-base ligands are in a zwitterionic form and coordinate through the phenolic oxygen only. The X-ray single-crystal structure of it is described, complex 1 crystallizes in the triclinic space group Pbca . The unit cell parameters are a = 13.7212(5) b = 17.7079(7) c = 31.1562(12) Å, α = 90, β = 90, γ = 90 °, V = 7570.1(5) Å 3 , Z = 8 completeness = 0.989, Θ max = 24.999, 20,193 reflections collected, 6599 independent reflections, R = 0.0355, wR 2 = 0.0705, S = 1.008, parameters = 523, T = 118 K. The capped square antiprismatic arranged dysprosium ion coordination sphere includes three bidentate nitrate groups, two ligands L, that coordinate via their oxygen atoms, and one molecule of water. Furthermore, the chemical structure of complex 1 has been optimized using the PBE-D3BJ/def2-SVP level of theory where ethanol is included as an implicit solvent to mimic the experimental environment. Finally, the complex 1 poses as a potential candidate for light emitting material as it luminous brilliantly in the visible region.
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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 | 0.000 |
| 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