Ability To Fine-Tune the Electronic Properties and Open-Circuit Voltage of Phenoxy-Boron Subphthalocyanines through Meta-Fluorination of the Axial Substituent
Bibliographic record
Abstract
Six different boron subphthalocyanines with fluorophenoxy axial substituents were synthesized to explore and fine-tune the HOMO and LUMO energy levels based on past observations of the unique levels of pentafluorophenoxy-boron subphthalocyanine (F 5 BsubPc). Electrochemistry reduction potentials, ionization energies from ultraviolet photoelectron spectroscopy (UPS) measurements, and energy levels calculated using semiempirical methods reveal finely variable values between phenoxy-BsubPc (PhO-BsubPc), without any fluorine atoms, and F 5 BsubPc, with all five fluorines. There is no trend between the number of fluorines on the phenoxy group and the electronic properties, but there is an influence of meta fluorine(s) altering the redox potentials and ionization energy, leading us to categorize the fluorophenoxy-BsubPcs into two “buckets”: with and without meta fluorines. We then applied the fluorophenoxy-BsubPcs as electron acceptors in planar heterojunction organic photovoltaic devices. The categorization of these “buckets” was confirmed by the fine change in open-circuit voltage between 1.15 and 1.21 V, which is an exceptionally high value. This level of fine-tuning of properties and device metrics is a unique handle enabled by the phenoxy axial substituent of BsubPcs.
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 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".