Spectral properties, electronic states, and aggregation of highly-fluorinated zinc phthalocyanines
Bibliographic record
Abstract
Fluoroalkyl zinc phthalocyanines (F[Formula: see text]PcZn) are an emerging class of functional tetrapyrroles with fluoro and perfluoroalkyl groups decorating the periphery of the macrocycle. F[Formula: see text]PcZn complexes, 16 [Formula: see text] n [Formula: see text] 64, exhibit strong absorptivity in the red region of the visible spectrum. Analysis of absorption, emission, and, most importantly, magnetic circular dichroism spectra, coupled with detailed molecular orbital calculations using time-dependent density functional theory, was used to probe the differential effects of increasing the number of peripheral fluoro groups. The impact of the electronegativity imparted by the fluorine atoms and iso fluoroalkyl groups, as well as the resulting increased steric crowding, was considered in terms of the electronic properties of a range of porphyrins and phthalocyanines. The contribution of F[Formula: see text]PcZn aggregation to the electronic spectra in solution was elucidated by analyzing TD-DFT-calculated spectra and comparing them with the X-ray structure of the solid state.
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".