New Charge Transfer Complexes of Self‐Assembled TCNQ Derivatives and Picric Acid: Synthesis, Characterization, Crystallography and Sensing Application
Bibliographic record
Abstract
Abstract TCNQ derivatives with primary/secondary amines as substituents are commonly known as diaminodicyanoquinodimethanes (DADQs); a D‐π‐A molecular system, being zwitterionic are generally stable. Facile and simple charge transfer (CT) complexes were achieved by the reaction between 7,7‐ bis ( N,N ‐dimethylethylenediamino)‐8,8‐dicyanoquinodimethane (BMEDDQ), 7,7 ‐bis ( N,N ‐diethylethylenediamino)‐8,8‐dicyanoquinodimethane (BDEDDQ) and picric acid ( PA ) each respectively; resulting in BMEDDQ ‐ PA [ 1 ] and BDEDDQ‐PA [ 2 ], further followed by effortless purification by crystallization. Acquired CT complexes (CTs) [ 1 ], [ 2 ] were characterized thoroughly by crystallography, spectroscopic and microscopic techniques. Crystallographic investigations revealed extensive H‐bonding, π‐π stacking, short contacts ( 1 ], [ 2 ] (molecular dipoles) and PA moieties; leading to the supramolecular self‐assemblies. Aggregation‐caused quenching (ACQ) was observed among the solid [ 1 ] and [ 2 ], marking non‐emissive feature, when compared to their solutions. Henceforth, BMEDDQ and BDEDDQ were further utilized for PA sensing. The limit of detection (LOD) was ~3.0×10 −6 M for BMEDDQ and BDEDDQ. Field emission scanning electron microscopy (FESEM) manifested varied aggregate formation with increasing PA concentration. Simplicity in synthesis and analysis accompanied by immediate color change i. e. fast response/fluorescence‐based quenching was noteworthy. Moreover, selectivity for PA , good sensitivity in solid as well as solution, and solubility in MeCN : H 2 O (1 : 9) mixture accomplish adequacy in detection from water bodies, thus BMEDDQ and BDEDDQ manifest as potential chemosensors for the detection of PA .
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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".