Electronic Structure of a Spin Crossover Molecular Adsorbate
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Bibliographic record
Abstract
We have investigated the occupied and unoccupied electronic structure of ultrahigh vacuum (UHV) evaporated molecular thin films of the spin crossover [Fe(H 2 B(pz) 2 ) 2 (bipy)] complex (with H 2 B(pz) 2 = bis(hydrido)bis(1 H -pyrazol-1-yl)borate and bipy = 2,2′-bipyridine) by ultraviolet photoelectron spectroscopy (UPS), inverse photoemission (IPES), and X-ray absorption spectroscopy (XAS). A bandgap of 2–3 eV is deduced from combined UPS and IPES measurements of the molecular films on Au substrates. The matching Fe XAS and IPES spectra indicate that the electronic unoccupied states have a significant Fe weight. The shift of the unoccupied density of states seen in inverse photoemission is consistent with the thermally induced spin crossover transition for [Fe(H 2 B(pz) 2 ) 2 (bipy)] deposited on the organic ferroelectric copolymer poly(vinylidene fluoride) with trifluoroethylene (PVDF–TrFE).
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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) | 0.001 | 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 it