Blue-Luminescent/Electroluminescent Zn(II) Compounds of 7-Azaindole and <i>N</i>-(2-Pyridyl)-7-azaindole: Zn(7-azaindole)<sub>2</sub>(CH<sub>3</sub>COO)<sub>2</sub>, Zn(NPA)(CH<sub>3</sub>COO)<sub>2</sub>, and Zn(NPA)((<i>S</i>)-(+)-CH<sub>3</sub>CH<sub>2</sub>CH(CH<sub>3</sub>)COO)<sub>2</sub> (NPA = <i>N</i>-(2-Pyridyl)-7-azaindole)
Bibliographic record
Abstract
A new 7-azaindole zinc(II) compound, Zn(7-azaindole)2(CH3COO)2 (1), a new ligand N-(2-pyridyl)-7-azaindole (NPA), and two NPA zinc(II) complexes, Zn(NPA)(CH3COO)2 (2) and Zn(NPA)((S)-(+)-CH3CH2CH(CH3)COO)2 (3), have been synthesized and structurally characterized. Compound 1 has a tetrahedral geometry, whereas compounds 2 and 3 have irregular six-coordinate geometry. The NPA ligand in compounds 2 and 3 functions as a bidentate chelate to the zinc center. Compound 1 has a blue luminescence in the solution and the solid state. Compounds 2 and 3 emit a blue color in the solid state. In solution, compounds 2 and 3 are fluxional, as established by 1H NMR experiments. Compound 1 is thermally stable, whereas compounds 2 and 3 undergo decomposition when heated in the solid state. A blue electroluminescent device using compound 1 as the emitting layer has been fabricated. Crystal data: NPA, monoclinic, P2(1)/c, a = 13.993(5) A, b = 8.456(3) A, c = 16.886(5) A, beta = 104.666(12) degrees, V = 1932.9(11) A3; 1, triclinic, P1, a = 9.5114(18) A, b = 10.460(7) A, c = 11.002(3) A, alpha = 117.18(3) degrees, beta = 103.287(18) degrees, gamma = 90.94(2) degrees, V = 938.3(7) A3; 2, monoclinic, C2/c, a = 13.234(6) A, b = 9.373(3) A, c = 13.956(7) A, beta = 113.24(3) degrees, V = 1590.7(12) A3; 3, monoclinic, P2(1), a = 11.047(7) A, b = 15.343(9) A, c = 13.785(8) A, beta = 100.123(9) degrees, V = 2300(2) A3.
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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".