Neutral Adducts of Molybdenum Hexafluoride: Structure and Bonding in MoF<sub>6</sub>(NC<sub>5</sub>H<sub>5</sub>) and MoF<sub>6</sub>(NC<sub>5</sub>H<sub>5</sub>)<sub>2</sub>
Bibliographic record
Abstract
Abstract The first Lewis acid base adducts of MoF 6 and an organic base have been synthesized, i. e ., MoF 6 (NC 5 H 5 ) and MoF 6 (NC 5 H 5 ) 2 . These adducts are structurally characterized with X‐ray crystallography, showing that both adducts adopt capped trigonal prismatic structures. The MoF 6 (NC 5 H 5 ) and MoF 6 (NC 5 H 5 ) 2 adducts are fluxional on the NMR time scale at room temperature. Two different fluorine environments could be resolved by 19 F NMR spectroscopy at −80 °C for the 1 : 2 adduct, MoF 6 (NC 5 H 5 ) 2 , whereas MoF 6 (NC 5 H 5 ) remains fluxional at that temperature. Density functional theory (DFT) calculations aide the assignment of the infrared and Raman spectra. Natural Bond Order and Molecular Electrostatic Potential analyses elucidate the structures and properties of the MoF 6 pyridine adducts. Regions of significantly higher molecular electrostatic potential, i. e ., σ‐holes, in trigonal prismatic compared to octahedral MoF 6 rationalize the capped trigonal prismatic geometry of the adducts. Whereas MoF 6 (NC 5 H 5 ) is stable at room temperature under exclusion of moisture, MoF 6 (NC 5 H 5 ) 2 decomposes at 60 °C in pyridine solvent, and the solid slowly decomposes at room temperature after 24 h.
Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.
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 | 0.004 | 0.001 |
| Meta-epidemiology (narrow) | 0.006 | 0.007 |
| Meta-epidemiology (broad) | 0.005 | 0.003 |
| Bibliometrics | 0.002 | 0.004 |
| Science and technology studies | 0.003 | 0.003 |
| Scholarly communication | 0.003 | 0.003 |
| Open science | 0.004 | 0.003 |
| Research integrity | 0.004 | 0.015 |
| Insufficient payload (model declined to judge) | 0.000 | 0.001 |
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".