Electronic Properties of Rhenium(I) Carbonyl Complexes Bearing Strongly Donating Hexahydro‐Pyrimidopyrimidine Based Ligands
Bibliographic record
Abstract
Abstract Re(I) tricarbonyl complexes have been synthesized using bi‐ and tridentate ligands equipped with one or two hexahydro‐pyrimidopyrimidine (hpp) units attached to either a pyridine or a pyrazine ring. These complexes have been characterized by NMR, ESI‐MS, vibrational and optical spectroscopies as well as electrochemistry. Their structures were determined via single‐crystal X‐ray crystallography and modelled using both DFT and TD‐DFT methods. The complexes are non‐emissive in solution at room temperature but display emission with mixed intra ligand (major) and metal‐ligand (minor) charge transfer characters at 77 K. Additionally, both pyrazine‐based complexes appear to be emissive in the solid state, presumably due to the presence of intermolecular interactions, as observed in the crystal structure.
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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 | 0.001 |
| 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 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.001 |
| 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".