Synthesis, Characterization, and Computational Study of the<i>trans</i>-IO<sub>2</sub>F<sub>5</sub><sup>2-</sup>Anion
Bibliographic record
Abstract
The combination of CH(3)CN solutions of [N(CH(3))(4)][F] and a mixture of cis- and trans-[N(CH(3))(4)][IO(2)F(4)] produces the novel trans-IO(2)F(5)(2)(-) anion. Under the given conditions, only the trans-IO(2)F(4)(-) anion acts as a fluoride ion acceptor, thus allowing the separation of isomerically pure, soluble cis-IO(2)F(4)(-) from insoluble trans-IO(2)F(5)(2)(-). The trans-IO(2)F(5)(2)(-) and cis-IO(2)F(4)(-) anions were characterized by infrared and Raman spectroscopy and theoretical calculations at the LDFT and HF levels of theory. The trans-IO(2)F(5)(2)(-) anion has a pentagonal-bipyramidal geometry with the two oxygen atoms occupying the axial positions. It represents the first example of a heptacoordinated main group AO(2)X(5) species and completes the series of pentagonal-bipyramidal iodine fluoride and oxide fluoride species. The geometries of the pentagonal-bipyramidal series IO(2)F(5)(2)(-), IOF(5)(2)(-), IF(5)(2)(-), IOF(6)(-), IF(6)(-), and IF(7) and the corresponding octahedral series IO(2)F(4)(-), IOF(4)(-), IF(4)(-), IOF(5), IF(5), and IF(6)(+) were calculated by identical methods. It is shown how the ionic charge, the oxidation state of the iodine atom, the coordination number, and the replacement of fluorine ligands by either an oxygen ligand or a free valence electron pair influence the stuctures and bonding of these species.
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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 | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.003 | 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".