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 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) | 0.000 | 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) | 0.004 | 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".