[Pb(ptz)(OH)(H<sub>2</sub>O)]: A Hybrid Nonlinear Optical Crystal with Large Birefringence
Bibliographic record
Abstract
The development of nonlinear optical (NLO) crystals remains crucial for solid-state laser applications. In this work, a chiral lead(II)-based hybrid material, [Pb(ptz)(OH)(H 2 O)] (Hptz = 5-(2-pyrazinyl)-1 H -tetrazole), was synthesized, exhibiting a one-dimensional chain structure assembled through stereochemically active lone pair (SCALP) Pb 2+ cations, OH –, and electronically asymmetric π-conjugated ptz – ligands. The combined influence of asymmetric π-conjugated organic ligands and SCALP-containing metal centers promotes noncentrosymmetric (NCS) crystal formation, yielding measurable optical properties, including 0.7 times KH 2 PO 4 (KDP) second-harmonic generation (SHG) efficiency, substantial birefringence (Δ n = 0.076 at 546 nm), and a 3.45 eV optical band gap. Structural characterization and computational studies attribute these optical characteristics to cooperative effects between distorted [PbO 3 N 2 ] polyhedra and aligned ptz – units, demonstrating that a strategic combination of SCALP metal cations with asymmetric π-conjugated organic ligands provides an effective pathway for designing hybrid linear/NLO materials.
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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".