Sorption of Xenon, Methane, and Organic Solvents by a Flexible Microporous Polymer Catena-Bis(Dibenzoylmethanato)-(4,4‘-bipyridyl)nickel(II)
Bibliographic record
Abstract
The title polymeric complex, [Ni(bipy)(DBM) 2 ] (bipy = 4,4‘-bipyridyl; DBM = PhCOCHCOPh -, dibenzoylmethanate), absorbs considerable quantities of gases and organic solvents. This material presents special problems for characterization, as single crystals of suitable size could not be grown, and paramagnetism interferes with the usual NMR spectroscopic applications. To define the material adequately, an approach of structural analogy, along with the examination of the adsorbed guests by appropriate NMR techniques, was employed. The sorption of xenon follows an isotherm characteristic of microporous solids, with a plateau at 1:2 host-to-xenon molar ratio (68 mL of xenon per 1 g of sorbent) at ∼60 atm. The interaction with methane (>100 atm) results in an uptake of up to 0.8 mol methane (27 mL/g). Under ambient conditions the title compound absorbs a wide range of organic solvents, up to two moles, either from the vapor or by direct contact with liquids. Structural changes range from minor adjustments to total reorganization of the polymer crystal structure. The basic structural features of the [Ni(bipy)(DBM) 2 ]*2(chlorobenzene) inclusion compound are anticipated to be the same as those determined by an X-ray single-crystal study of its isostructural Zn-analogue. The DBM ligands chelate the Zn centers forming equatorial planes and the bipy ligands bridge the flat Zn(DBM) 2 units into linear polymeric chains to form a “wheel-and-axle” host motif, with guest species in the residual space. Deuterium NMR of the inclusion compound with benzene- d 6 gives direct evidence that it is an included guest in the crystalline lattice of [Ni(bipy)(DBM) 2 ].
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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 | 0.000 | 0.000 |
| 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 | 0.000 |
| Insufficient payload (model declined to judge) | 0.013 | 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".