Synthesis and Structural Characterization of C(OTeF<sub>5</sub>)<sub>4</sub> and a Comparative Structural Study of the Isoelectronic B(OTeF<sub>5</sub>)<sub>4</sub><sup>-</sup> Anion
Bibliographic record
Abstract
Tetrakis(pentafluoroorthotellurate)carbon(IV), C(OTeF5)4, was synthesized by reaction of CBr4 with BrOTeF5 in SO2ClF solution at -78 degrees C and was isolated as a colorless, crystalline solid that is room-temperature stable in SO2ClF and in the solid state. Both natural abundance and 99% 13C-enriched C(OTeF5)4 have been characterized in SO2ClF solution by 13C, 19F, and 125Te NMR spectroscopy. In contrast, C(OTeF5)4 undergoes rapid decomposition to O(TeF5)2 and CO2 in CH3CN at 10 degrees C but is stable at -40 degrees C. The X-ray crystal structures of C(OTeF5)4 and [N(CH3)4][B(OTeF5)4] were determined at -30 and -170 degrees C, respectively. The averages of four smaller C/B-O-Te bond angles and O...O contacts and two larger C/B-O-Te bond angles and O...O contacts of C(OTeF5)4 and the isoelectronic B(OTeF5)4- anion are consistent with local S4 symmetry, as predicted by ligand close packing considerations. The existence of three sets of Te-O-C/B-O torsion angles and the energy-minimized geometries of C(OTeF5)4 and B(OTeF5)4- also confirm their local S4 symmetries. The low-temperature, solid-state Raman spectra of 12/13C(OTeF5)4 and B(OTeF5)4- were assigned and compared. The energy-minimized geometries, vibrational frequencies, natural charges, and natural bond orders of both species have been calculated using density functional theory methods. The calculated geometries are in accord with the S4 symmetries assigned for the experimental structures.
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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 | 0.001 | 0.000 |
| Meta-epidemiology (narrow) | 0.002 | 0.001 |
| Meta-epidemiology (broad) | 0.002 | 0.000 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.001 | 0.001 |
| Scholarly communication | 0.000 | 0.001 |
| Open science | 0.001 | 0.001 |
| Research integrity | 0.001 | 0.002 |
| Insufficient payload (model declined to judge) | 0.000 | 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; both teacher heads agree on what is shown here.
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".