Experimental and Theoretical Investigations of Tellurium(IV) Methanediides and Their Insertion Products with Sulfur and Iodine
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Bibliographic record
Abstract
The reactions of Li 2 [C(Ph 2 PS) 2 ] with tellurium tetrahalides in a 1:1 molar ratio in toluene afford the complexes {TeX 2 [C(Ph 2 PS) 2 ]} 2 ( 7a, X = Cl; 7b, X = Br; 7c, X = I). These complexes dimerize through halide bridges in the solid state, and the tridentate ligand is S,C,S- coordinated to the tellurium center with a Te–C bond length of 2.024(3), 2.030(6), and 2.045(8) Å, respectively. In the case of TeBr 4, small amounts of the complex TeX 2 [SC(Ph 2 PS) 2 ] ( 8b, X = Br) were isolated and shown by X-ray analysis to be the result of formal sulfur insertion into the Te–C bond of 7b . Complex 8b and the corresponding dichloride and diiodide, 8a (X = Cl) and 8c (X = I), may be prepared in good yields by the metathetical reactions of Li 2 [SC(Ph 2 PS) 2 ] with TeX 4 in toluene. The complex TeI 2 [(I 2 )C(Ph 2 PS) 2 ] ( 9 ) was isolated as a minor product from the reaction of Li 2 [C(Ph 2 PS) 2 ] and TeI 4 and identified by X-ray crystallography. Complex 9 is constructed from the insertion of an iodine atom of an I 2 molecule into the Te–C bond of 7c, resulting in a T-shaped geometry at that iodine atom and an almost linear Te–I–I unit with an elongated I–I bond; the C–I bond length is typical for a C(sp 3 )–I bond. DFT calculations supplemented with Hirshfeld charge analysis, Boys–Foster localization of molecular orbitals, and evaluation of the electron localization functions indicate that in these species the ligand engages predominantly in σ bonding through the lone pairs on the carbon and sulfur atoms. The latter atoms participate in three-center interactions with tellurium. The bonds between the heavy elements and carbon are strongly polarized, and the character of the latter atom ranges from sp 2 to sp 3 .
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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 | 0.001 |
| 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 it