Conformational Behavior and Coordination Chemistry of 2,11-Dithia[3.3]<i>o</i><i>rtho</i>cyclophane with Platinum Group Metals
Bibliographic record
Abstract
The compound 2,11-dithia[3.3]orthocyclophane (L) is a mesocyclic dithioether that can act as a bidentate ligand in different conformations. In the ionic heteroleptic complexes [PtL(eta(4)-cod)][CF(3)SO(3)](2) (1), [RhL(eta(4)-cod)][CF(3)SO(3)] (2), and [IrL(eta(4)-cod)][CF(3)SO(3)] (3) (cod = 1,5-cyclooctadiene), L is coordinated in the anti I conformation both in solution and in the solid state, as revealed by an X-ray diffraction study of complex 1. However, in complexes [PdL(PPh(3))(2)][SO(3)CF(3)](2) (4) and [PtL(PPh(3))(2)][SO(3)CF(3)](2) (5), L exhibits two different conformations: anti I and anti II in a 40:60 ratio, as observed by (1)H and (31)P NMR spectroscopy, with no exchange up to 90 degrees C. The homoleptic complexes [PdL(2)][SO(3)CF(3)](2) (6) and [PtL(2)][SO(3)CF(3)](2) (7), with two ligands bound to the metal, display two isomers in solution, one of them with L in conformations anti I-anti II and the other with conformations anti II-anti II with a 75:25 ratio. The X-ray structure of 6 showed only the presence of the anti II-anti II isomer in the solid state. All complexes were synthesized by the reaction of a suitable chloride complex with 2 equiv of silver triflate and 1 equiv of L.
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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) | 0.002 | 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".