A Platinum(II) Organometallic Building Block for the Design of Emissive Copper(I) and Silver(I) Coordination Polymers
Bibliographic record
Abstract
The tritopic organometallic ligand trans -MeSC 6 H 4 C≡CPt(PMe 3 ) 2 (C≡N) ( L1 ) was prepared from cis -PtCl 2 (PMe 3 ) 2 and p -ethynyl(methyl thioether)benzene. Its versatility was shown with the formation of [CuX( L1 )] n coordination polymers (CPs) with CuX salts in MeCN (X = I ( CP1 ), CN ( CP2 ), SCN ( CP3 )). These CPs were characterized by X-ray crystallography, thermal gravimetric analysis (TGA), and IR and Raman spectroscopy. CP1 consists of a 1D head-to-tail chain formed by tricoordinated −C≡N–CuI(η 2 -C≡C)– linkages, whereas CP2 is built upon a central (CuCN) n zigzag chain bearing dangling L1 s held by −C≡N–Cu bonds. Finally, CP3 exhibits 2D sheets secured by Cu–N≡C–/–(Me)S–Cu bondings and transversal Cu–S–C≡N–Cu bridges. Concurrently, the CPs formed with AgX (X = NO 3 – ( CP4 and CP5 ), CF 3 CO 2 – ( CP6 ) PF 6 – ( CP7 )) exhibits 2D sheets with guest molecules (anion, solvents) inside the tight pores or between layers. These new materials are emissive: L1 (λ 0–0 ∼465 nm), CP1 – CP7 (500 < λ max < 620 nm). Their photophysical properties (absorption and emission spectra, emission lifetimes (∼0.2 < τ e < 120 μs), and quantum yields in the solid state at 77 and 298 K) were analyzed. The various natures of the emissive excited states were addressed by density functional theory (DFT) and time-dependent DFT (TDDFT) computations. For CP1, this state is a triplet halide or pseudohalide to ligand charge transfer 3 XLCT (CT = charge transfer; X = I; L = L1 ) and for CP2, it is 3 XLCT (X = CN; L = L1 ). However, for CP3, it is 3 XLCT (X = SCN; L = L1 ). For CP4, the T 1 state is described as a [MeSC 6 H 4 (η 2 -C≡C)-Ag(NO 3 )] 2 → [Pt] /C≡CC 6 H 4 SMe CT.
Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.
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 | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.001 | 0.001 |
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".