Assignment of the optical spectrum of metal porphyrin and phthalocyanine radical anions
Bibliographic record
Abstract
The approach developed previously to assign the major π → π* and π* → π* bands in the optical spectra of metallophthalocyanine radical species [ MPc (−n)] (n−2)− (n = 1–6), which was based on spectral band deconvolution analyses of the UV-vis absorption and magnetic circular dichroism (MCD) spectra and ZINDO calculations, is reviewed in this paper and extended to the major bands observed in the spectrum of the zinc tetraphenylporphyrin radical anion [ ZnTPP (−3)] − . The magnetic circular dichroism spectrum is dominated by an intense pseudo A term associated with the B (or Soret) transition with bands at 445 and 465 nm. Weaker bands associated with the π* → π* transition out of the partially filled LUMO give rise to two widely separated, oppositely signed, coupled B terms in the MCD spectrum at 538 and 910 nm. The Q transition is assigned to a weak absorption band at 750 nm and a shoulder slightly to the blue at 728 nm.
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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 | 0.001 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.001 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 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 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".