Photophysical, electrochemical, self-assembly, and molecular packing properties of a sulfur-decorated perylene derivative
Bibliographic record
Abstract
A sulfur-decorated perylene derivative, 1-propanethiol-N,N′-dicyclohexyl perylene-3,4,9,10 tetracarboxylic diimide (PTPDI), was synthesized and fully characterized by 1 H NMR, 13 C NMR, FTIR, HRMS, UV–vis absorption, fluorescence, fluorescence lifetime, fluorescence quantum yield, cyclic voltammetry, and thermogravimetric techniques. The optical, fluorescence, and scanning electron microscopies were employed to study its self-assembly process. The photophysical properties were affected strongly by modifying the propanethiol unit linking to the perylene core. Furthermore, the chromophore showed two irreversible oxidations and two quasi-reversible reductions in dichloromethane at modest potential. The optical properties of PTPDI in various conditions and complementary density functional theory calculations were reported. Due to steric hindrance of the bulky n-propyl mercaptan substituent, PTPDI molecules are arranged in slipped face-to-face fashion to form J-aggregates. Thus, the intermolecular π–π actions of the molecule are weak, causing its high luminescence efficiency. In the meantime, the space between perylene cores is very short (3.45 Å), which is favorable for the hopping transportation of charge carrier from one molecule to an adjacent one. PTPDI could be a candidate material for acquiring a well-defined organic nanostructure with excellent charge-transporting and light-emitting capabilities.
Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.
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) | 0.000 | 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 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".