Fe(L)<sub>2</sub>[M(CN)<sub>4</sub>] with L = 4-Ethyl Isonicotinate and M = Ni, Pd, Pt.─A Series of Hofmann-Type Frameworks with Spin Crossover: The Dominant Role of the Fe–NC Coordination Bond
Bibliographic record
Abstract
This contribution reports the incorporation of an organic pillar (L), 4-ethyl isonicotinate, between adjacent layers of the series of 2D coordination polymers, Fe[M(CN) 4 ], with M = Ni, Pd, and Pt. The resulting metal–organic frameworks (MOFs), Fe(L) 2 [M(CN) 4 ], show thermally induced spin crossover (SCO) in the 150–250 K temperature range. In these frameworks, the pillars are formed by a pair of molecules (L) linked to the iron atoms in axial coordination sites. This series of hybrid inorganic–organic solids series preserves the 2D character of the inorganic building blocks because the interactions between the pairs of organic pillars are of a physical nature. These types of solids are also known as Hofmann-like frameworks. Their crystal structure was solved and refined from powder XRD patterns recorded at 100 and 300 K, corresponding to the low-spin (LS) and high-spin (HS) phases, respectively. The HS and LS phases crystallize with a triclinic unit cell in the p -1 (#2) space group. The HS→ LS transition involves a unit cell volume contraction of about 6%. The spin transition on the sample cooling and warming was studied from XRD data; magnetic (SQUID) measurements; DSC curves; and IR, Raman, and Mössbauer spectra. No similar study for this MOF series has been reported.
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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 | 0.000 |
| 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 | 0.001 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.001 |
| 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".