Single‐Molecule Magnetism in Three Dy<sub>2</sub> Complexes from the Use of a Pentadentate Schiff Base Ligand and Different Benzoates
Bibliographic record
Abstract
Abstract Three dinuclear dysprosium(III) complexes, [Dy2L2(O2CPh)2]⋅2 MeOH (1), [Dy2L2{(2‐NO2)O2CPh}2] (2), and [Dy2L2{(2‐OH)O2CPh}2]⋅MeOH⋅MeCN (3) (H2L=N1,N3‐bis(4‐chlorosalicyladehyde)diethylenetriamine), have been synthesized and structurally characterized. Complexes 1–3 possess similar Ln2 cores and differ in substituents at the benzyl rings of benzoates. Direct current (dc) magnetic susceptibility studies in the 2–300 K range showed weak antiferromagnetic interactions between two dysprosium(III) ions in 1–3. The alternating current (ac) magnetic susceptibility measurements indicated that they all exhibited SMM behavior. The strategic attachment of the −NO2 group (in 2) and the −OH functionality (in 3) on the skeleton of the benzoic acid led to subtle variations of the bond lengths and bond angles in the coordination environments of the central dysprosium(III) ions, consequently resulting in the enhancement of the energy barriers for 2 and 3. Complete‐active‐space self‐consistent field (CASSCF) calculations were employed to rationalize the experimental outcomes. Theoretical calculations confirm the existence of antiferromagnetic interactions in 1–3, and the calculated dc magnetic susceptibility data agree well with those obtained experimentally. The computational results reveal more axial g tensors, as well as higher first excited Kramers doublets in 2 and 3; thus resulting in higher energy barriers in compounds 2 and 3.
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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) | 0.001 | 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 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".