A Structural Investigation of Dimethylthallium(III) Thiolate and Selenolate Rings and Polymers
Bibliographic record
Abstract
Abstract The effects of increased steric bulk in dimethylthallium(III) chalcogenolates on oligomerization was examined. The facile reaction of Me3Tl with a series of benzenethiols and ‐selenols in toluene or thf resulted in the formation of [Me2TlS(2,6‐Me2C6H3)]∞(2), [Me2TlS(2,4,6‐tBu3C6H2)]∞(3), [Me2TlSe(C6H5)]2(4), [Me2TlSe(2,4,6‐Me3C6H2)]∞(5), and [Me2TlSe(2,4,6‐tBu3C6H2)]∞(6). The solid‐state structure of4is dimeric with short intermolecular Tl···Se interactions, which yields an asymmetric Tl2Se2core and a distorted tetrahedral C2Se2bonding environment for the thallium. The increase in the steric bulk of the chalcogenolate ligand in compounds2and5results in the formation of polymeric structures with μ‐E[2,(4),6‐Me3C6H2] (E = S, Se) groups and distorted tetrahedral C2E2bonding environments for the thallium. A further increase in the steric bulk of the phenylchalcogenolate resulted in the formation of chains of weakly coordinated monomers by means of the intermolecular Tl···E interactions in3(E = S) and6(E = Se). This work represents the first systematic study of diorganothallium thiolates and selenolates and compounds4–6represent the first structurally characterized examples of R2TlSeR′ species. A comparison of the structures of [Me2TlS(C6H5)]2(1) and2–6with other group 13 analogue structures suggests that the degree of oligomerization differs for [Me2MSR′]n(M = Tl) versus the analogous (M = Al, Ga, and In) species. These findings areimportant in understanding the factors that govern oligomerization (i.e. ring size) and polymerization of diorganotriel chalcogenolates.
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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) | 0.001 | 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".