Reversible Spin Pairing in Crystalline Organic Radicals
Bibliographic record
Abstract
This chapter considers organic spin-transition materials whose electronic structures can be manipulated in a conceptually similar but substantially different chemical fashion, by examining the fine interplay between inter-electron repulsion or pairing energy and promotion energy to a low-lying vacant orbital. It begins with a discussion of stable free-radicals and their tendency to associate to form dimmers. The chapter focuses on computational and experimental studies of the electronic structures of these dimers in the gas phase and in solution. It chapter extends these discussions to the solid state and investigates examples to explain (i) thermal population of electronic excited states leading to a gradual thermal evolution of paramagnetism upon warming, and (ii) first order solid state phase transitions in which bond cleavage can lead to abrupt diamagnetic-paramagnetic phase transitions. It presents a case study on trithiatriazinyl (TTTA), which is the most comprehensively studied member of the family of spin-transition compounds.
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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) | 0.004 | 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".