First Halogen Anion-Bridged (MMX)<sub><i>n</i></sub>-Type One-Dimensional Coordination Polymer Built upon d<sup>10</sup>−d<sup>10</sup> Dimers
Bibliographic record
Abstract
The complex [Ag(2)(PhPPy(2))(2)(NCCH(3))(2)](ClO(4))(2) [PhPPy(2) = bis(2-pyridyl)phenylphosphine] reacts with NH(4)Cl to form an insoluble one-dimensional polymer of the type (MMX)(n), {[Ag(2)(PhPPy(2))(2)Cl](ClO(4))}(n). The binuclear unit, Ag(2)(PhPPy(2))(2)(2+), exhibits two PhPPy(2) tridentate ligands bridging the two Ag atoms in a head-to-tail fashion with C(2h) symmetry, and the Ag···Ag distance [3.0942(11) Å, X-ray] suggests argentophilic interactions. Each Ag center adopts a distorted trigonal-bipyramidal geometry, coordinated by one P atom and two pyridyl arms at the equatorial positions and interacting with one Cl ion and one Ag ion at the axial positions. The short Ag-Cl bond length [2.5791(7) Å] indicates the presence of some covalent character. The solid-state absorption bands spread all the way to 600 nm have been interpreted by means of density functional theory (DFT) and time-dependent DFT (B3LYP), and the lowest-energy excited states are assigned to metal/halide-to-pyridyl charge transfer, consistent with the d(10) electronic configuration of Ag. The calculated oscillator strengths are low because of the poor molecular orbital overlaps in the charge-transfer components. The novel material exhibits a luminescence band centered at about ∼520 nm.
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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 | 0.001 |
| Meta-epidemiology (narrow) | 0.001 | 0.001 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.001 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.001 |
| Research integrity | 0.002 | 0.002 |
| Insufficient payload (model declined to judge) | 0.040 | 0.002 |
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; both teacher heads agree on what is shown here.
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".