Measurements of infrared absorption cross-sections for 1H-perfluorohexane and perfluoro-2-methyl-2-pentene from 300 to 340 K
Why this work is in the frame
A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.
Bibliographic record
Abstract
1H-perfluorohexane and perfluoro-2-methyl-2-pentene are polyfluoroalkyl and perfluoroalkyl substances, respectively. Such substances are of general interest due to their ubiquity in industry and adverse health effects. To our knowledge, perfluoro-2-methyl-2-pentene has not been measured before in the infrared, and a single measurement of 1H-perfluorohexane exists. This work provides infrared absorption cross-sections for each molecule between 515 and 4000 cm −1 at 0.1 cm −1 resolution from 300 to 340 K to quantify their potential climate impact. Our results can also aid in detecting both molecules during the disposal of heavier per- and polyfluoroalkyl substances. We supplement experimental measurements with density functional theory cross-sections using the DSD-BLYP-D3BJ functional and the def2-TZVPPD basis set. We calculate integrated cross-sections, radiative efficiencies, and global warming potentials from experimental and theoretical cross-sections. Based on experimental data, the 100-year global warming potentials are 3120±410 and 37±9 for 1H-perfluorohexane and perfluoro-2-methyl-pentene, respectively. Our experimental and density functional theory climate metrics are substantially smaller than the theoretical values provided in The Scientific Assessment of Ozone Depletion: 2022. • New HFC-52-13P & perfluoro-2-methyl-2-pentene cross-sections: 515–4000 cm −1 , 300–340 K. • Obtained perfluoro-2-methyl-2-pentene infrared cross-sections for the first time. • Performed high-level DFT calculations to determine theoretical cross-sections. • Derived GWPs of 3210±410 for HFC-52-13P and 37±9 for perfluoro-2-methyl-2-pentene. • Showed temperature-independence of integrated cross-sections and climate metrics.
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.
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) | 0.000 | 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) | 0.000 | 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 it