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Record W1968532751 · doi:10.1021/jp0493576

Atmospheric Chemistry of 4:2 Fluorotelomer Alcohol (CF<sub>3</sub>(CF<sub>2</sub>)<sub>3</sub>CH<sub>2</sub>CH<sub>2</sub>OH):  Products and Mechanism of Cl Atom Initiated Oxidation

2004· article· en· W1968532751 on OpenAlexaff
M. D. Hurley, James C. Ball, Timothy J. Wallington, Mads P. Sulbæk Andersen, David Ellis, Jonathan W. Martin, Scott A. Mabury

Bibliographic record

VenueThe Journal of Physical Chemistry A · 2004
Typearticle
Languageen
FieldEnvironmental Science
TopicPer- and polyfluoroalkyl substances research
Canadian institutionsUniversity of Toronto
Fundersnot available
KeywordsChemistryDiluentAlcoholYield (engineering)Medicinal chemistryMoleculeTorrOxygenReaction mechanismFourier transform infrared spectroscopyOrganic chemistryNuclear chemistryCatalysisMaterials science

Abstract

fetched live from OpenAlex

Smog chamber/FTIR techniques were used to study the products and mechanism of the Cl atom initiated oxidation of 4:2 fluorotelomer alcohol (CF 3 (CF 2 ) 3 CH 2 CH 2 OH) in 700 Torr of N 2 /O 2 diluent at 296 K. CF 3 (CF 2 ) 3 CH 2 CHO is the sole primary oxidation product. CF 3 (CF 2 ) 3 CHO, CF 3 (CF 2 ) 3 CH 2 COOH, and CF 3 (CF 2 ) 3 CH 2 C(O)OOH are secondary oxidation products. Further irradiation results in the formation of CF 3 (CF 2 ) 3 COOH, COF 2, and CF 3 OH. CF 3 (CF 2 ) 3 CHO, CF 3 (CF 2 ) 3 CH 2 COOH, and CF 3 (CF 2 ) 3 CH 2 C(O)OOH are formed from CF 3 (CF 2 ) 3 CH 2 CHO oxidation in yields of 46%, 27%, and ≤27%, respectively. Using relative rate techniques, a value of k (Cl + CF 3 (CF 2 ) 3 CH 2 CHO) = (1.84 ± 0.30) × 10 -11 cm 3 molecule -1 s -1 was determined. The yield of the perfluorinated acid, CF 3 (CF 2 ) 3 COOH, from the 4:2 fluorotelomer alcohol increased with the diluent gas oxygen concentration. For the experimental conditions used herein and employing >98% consumption of 4:2 fluorotelomer alcohol, the molar yields of CF 3 (CF 2 ) 3 COOH were <0.011, 0.031, 0.042, and 0.056 in experiments conducted with 10, 140, 400, and 700 Torr O 2, respectively. These results suggest that the atmospheric oxidation of fluorotelomer alcohols may be a significant source of the perfluorinated carboxylic acids that are observed in remote areas.

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 imitation

Not 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.

metaresearch head score (Codex)0.002
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Research integrity
Consensus categoriesMeta-epidemiology (narrow)
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.021
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0020.000
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0020.001
Bibliometrics0.0000.002
Science and technology studies0.0010.002
Scholarly communication0.0000.001
Open science0.0020.001
Research integrity0.0010.003
Insufficient payload (model declined to judge)0.0000.000

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.

Opus teacher head0.014
GPT teacher head0.242
Teacher spread0.227 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; both teacher heads agree on what is shown here.

Study designBench or experimental
Domainnot available
GenreEmpirical

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".

Quick stats

Citations52
Published2004
Admission routes1
Has abstractyes

Explore more

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