Covalently Assembled Monolayers of Homo‐ and Heteroleptic Fe<sup>II</sup>‐Terpyridyl Complexes on SiO<sub><i>x</i></sub> and ITO‐Coated Glass Substrates: An Experimental and Theoretical Study
Bibliographic record
Abstract
Abstract Well‐defined Fe II ‐terpyridyl monolayers were fabricated on SiO x and conductive ITO‐coated glass substrates through covalent‐bond formation between the metallo‐organic complexes and a preassembled coupling layer. Three different homo‐ and heteroleptic complexes with terminal pyridyl, amine, and phenyl groups were tested. All the films were found to be densely packed and homogeneous, and consist of molecules standing upright. They exhibited high thermal (up to ≈220 °C) and temporal (up to 5 h at 100 °C) stability. The UV/Vis spectra of the monolayers showed pronounced metal‐to‐ligand charge‐transfer bands with a significant redshift compared with the solution spectra of the metallo‐ligands with a pendant pyridyl group quaternized with the coupling layer, whereas the shift was significantly smaller when the coupling layer was bonded to the primary amine (−NH 2 ) group of the complex. Cyclic voltammograms of the monolayers showed reversible, one‐electron redox behavior and suggested strong electronic coupling between the confined molecules and the underlying substrate. Analysis of the electrochemistry data allowed us to estimate the charge‐transfer rate constant between the metal center and the substrate. Additionally, detailed quantum‐chemical calculations were performed to support and rationalize the experimentally observed photophysical properties of the Fe II ‐terpyridyl complexes both in the solution state and when bound to a SiO x ‐based substrate.
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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 | 0.000 | 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) | 0.000 | 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".