Supramolecular Organization and Evaporation of Polymeric Tin Trifluoroacetates
Bibliographic record
Abstract
Simple tin carboxylates make up a family of important industrial catalysts and precursors for deposition of SnO2 thin films. However, their structures remain disparately characterized, and tin trifluoroacetates have been particularly elusive. Here we report on a combined X-ray diffraction (XRD), gas phase electron diffraction (GED) and density functional theory (DFT) study into the structure and bonding of tin(II) and tin(IV) trifluoroacetates to understand their influence on thermal stability and volatility. Tin(II) bis(trifluoroacetate) (1′) eliminates trifluoroacetic anhydride upon sublimation to form the linear polymeric hexatin(II)-di-μ -oxy-octakis-μ-trifluoroacetate (1F ), which itself sublimes (1 Torr at 191 C) as a 1:1 mixture of 1 and ditin(II)-μ-oxy-bis-μ-trifluoroacetate (1′′). Tin(IV) tetrakis(trifluoroacetate) (2F) is also polymeric in the solid state, but evaporates as a monomer at low temperatures (1 Torr at 84 ◦C). Together they make a family of multifunctional Lewis acidic and basic building blocks for supramolecular organization of clusters and polymers in the solid state. Anomalous trends in the volatility of these trifluoroacetates and their hydrogenated derivatives can be rationalized by consideration of their modes of polymerization with respect to the thermodynamics of evaporation. Both 1F and 2F combine high thermal stability and volatility, and are demonstrated to be complementary, safe, and green potential precursors for chemical vapor deposition (CVD) or atomic layer deposition (ALD) of earth-abundant transparent conducting F-doped SnO2.
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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 | 0.000 | 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 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".