Thiourea-Functionalized Ligands for Tunable Solid-State Photoluminescence and Quenching-Based Metal Sensing
Bibliographic record
Abstract
Four new thiourea-functionalized ligands based on aminopyrazole frameworks were synthesized and characterized by NMR spectroscopy, mass spectrometry, and single-crystal X-ray diffraction. The crystal structures of all ligands, as well as a zinc(II) chloride complex, were determined. Excitation and emission properties were evaluated in both solution and solid forms for three methoxyphenyl-substituted ligands revealing bright solid-state fluorescence in two cases. For one ligand, fluorescence was quenched upon coordination to Zn(II), demonstrating its potential as a metal-responsive sensor. Hirshfeld surface analysis was used to correlate intermolecular interactions with differences in crystal packing and emission behavior, highlighting how subtle structural changes modulate solid-state photoluminescence.
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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 | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.001 | 0.001 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.001 | 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 itClassification
machine, unvalidatedMachine predicted; a candidate call from one teacher head, 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".