Intermolecular Interactions of CpFePPh<sub>3</sub>(CO)CO(CH<sub>2</sub>)<sub>5</sub>CH<sub>3</sub>: From a Crystalline Solid to a Supramolecular “Iron-Truss” Polymer
Bibliographic record
Abstract
(FpC6) spontaneously forms supramolecular polymers in the solid state. The polymers crystallize slowly over a period of one month and can be recovered by melting the crystals at 65 °C. The rheological profile of FpC6 fits the Maxwell model indicating the presence of chain entanglement. Crystal analysis reveals that FpC6 is able to assemble, via cooperative π-π interactions and weak C-H···O hydrogen bonding, into a duplex chain structure with truss arrangement of iron atoms. Powder X-ray diffraction (PXRD) of the polymers shows a double-peak pattern, characteristic for duplex ladder polymers. FTIR/ATR analysis further supports that carbonyl groups are involved in C-H···O hydrogen bonding responsible for the self-assembly. This discovery opens up new design motifs for organometallic supramolecular polymers.
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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) | 0.002 | 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".