A Structurally Diverse Series of Eight-Coordinate Hg<sup>2+</sup> Complexes of KrF<sub>2</sub> Derived from Hg(PnF<sub>6</sub>)<sub>2</sub> (Pn = As, Sb) and FHg(AsF<sub>6</sub>)
Bibliographic record
Abstract
Low-temperature (LT) reactions of the strong oxidative fluorinator, KrF 2, with Hg(PnF 6 ) 2 (Pn = As, Sb) and FHg(AsF 6 ) in anhydrous HF solvent provide a structurally diverse series of eight-coordinate Hg(II) complexes in which Hg 2+ is coordinated to KrF 2, [PnF 6 ] − (Pn = As, Sb), and HF. The complexes, [Hg(FKrF) 5 (AsF 6 ) 2 ] ( 1 ), [Hg(FKrF) 4 (FH) 2 SbF 6 ] 2 [SbF 6 ] 2 ( 2 ), [Hg(FKrF) 3 (FH)(SbF 6 ) 2 ] ( 3 ), [Hg(FKrF) 2 (AsF 6 ) 2 ] ( 4 ), [Hg(FKrF)(FH)(AsF 6 ) 2 ] ( 5 ), [Hg(FKrF) 4 (FH)(FH---FH)(AsF 6 ) 2 ] ( 6 ), [μ-FHg(μ 3 -FKrF) 1.5 (FKrF) 0.5 AsF 6 ] 2 ( 7 ), and [μ 3 -FHg(μ 3 -FKrF) 0.5 (FKrF) 1.5 AsF 6 ] 2 ( 8 ), were characterized by LT single-crystal X-ray diffraction and LT Raman spectroscopy. Complexes 2, 3, 5, and 6 are the only KrF 2 coordination complexes known in which a second neutral donor, HF, is coordinated to the metal center. The series of complexes exhibits three coordination modalities for KrF 2 . In addition to Hg 2+ coordination through a single fluorine atom of KrF 2, complex 7 provides a rare example of a KrF 2 ligand that bridges two Hg 2+ cations by coordination through both of its fluorine atoms, and complexes 7 and 8 provide unique examples of μ 3 -FKrF coordination in which a single fluorine atom of KrF 2 bridges two Hg 2+ cations. Although quantum-chemical calculations show that electrostatic contributions dominate bonding of Hg 2+ to μ 3 -coordinated KrF 2 in the model cation, [μ-F(HgF) 2 (μ 3 -FKrF) 2 ] +, orbital contributions are also significant.
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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) | 0.002 | 0.002 |
| Meta-epidemiology (broad) | 0.003 | 0.001 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.001 | 0.002 |
| Scholarly communication | 0.000 | 0.001 |
| Open science | 0.002 | 0.002 |
| Research integrity | 0.002 | 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".