Inclusion Ability of 4-Phenylpyridine-Extended Nickel(II) Dibenzoylmethanate, a New Metal−Complex Host
Bibliographic record
Abstract
A new host complex, [Ni(4-PhPy) 2 (DBM) 2 ], has been prepared by modification of nickel dibenzoylmethanate (Ni(DBM) 2; DBM = C 6 H 5 COCHCOC 6 H 5 - ) with 4-phenylpyridine (4-PhPy). Of 17 organic solvents that were tested as guest candidates, 6 inclusion compounds were isolated, mostly as bulk products. All compounds were characterized with XRD methods. With benzene, fluoro-, chloro-, and bromobenzenes, toluene, and o -xylene, 1:1 inclusions form; they are all green, relatively stable, and isostructural (triclinic, P 1̄, Z = 2). The guest species accommodate flattened cages formed upon van der Waals packing of host molecules. The guest inclusion influences the distortion in the bischelate fragment of the host molecule, as the dihedral angle between two chelate rings ranges up to 12°. This distortion is probably responsible for the green color of these phases. The series of inclusions exhibits an order of thermal stability opposite to that which would be expected from the volativity of the neat guests; the order indicates strong preference of the inclusion matrix to benzenes with smaller substituents. With benzene, one more inclusion phase was isolated as a metastable product, with a host-to-guest ratio of 1:4; it is brown and of a distinct structural type (triclinic, P 1̄, Z = 1). The guest species are found in alternating layers of closely packed host molecules. The guest-free host phase is brown; its crystal structure (triclinic, P 1̄, Z = 1) is different from the inclusion compounds. In all the materials studied the host molecule is a trans-configured octahedral complex with two DBMs chelating the nickel(II) center in an equatorial plane and two 4-PhPy ligands coordinating axially.
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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 | 0.001 | 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".