Temperature Dependence of the Rate Coefficients for the Reactions of Atomic Bromine with Toluene, Tetrahydrofuran, and Tetrahydropyran
Bibliographic record
Abstract
The rate coefficients for the reactions of atomic bromine with toluene, tetrahydrofuran, and tetrahydropyran were measured from approximately 295 to 362 K using the relative rate method. Iso-octane was used as the reference compound for the reaction with toluene, and iso-octane and toluene were used as the reference compounds for the reaction with tetrahydrofuran; tetrahydrofuran was used as the reference compound for the reaction with tetrahydropyran. The rate coefficients were found to be unaffected by changes in pressure and oxygen concentration. The rate coefficient ratios were converted to absolute values using the absolute rate coefficient for the reaction of Br with the reference compound. The absolute rate coefficients, in the units cm(3) molecule(-1) s(-1), for the reaction of Br with toluene are given by k(T) = (3.7 +/- 1.7) x 10(-12) exp(-(1.63 +/- 0.15) x 10(3)/T), for the reaction of Br with tetrahydrofuran by k(T) = (3.7 +/- 2.7) x 10(-10) exp(-(2.20 +/- 0.22) x 10(3)/T), and for the reaction of Br with tetrahydropyran by k(T) = (3.6 +/- 1.8) x 10(-10) exp(-(2.35 +/- 0.16) x 10(3)/T). The uncertainties represent one standard deviation. The Arrhenius parameters for these reactions are compared with results in the literature for dimethyl ether, diethyl ether, and a series of saturated hydrocarbons, and the effects of structural variation on these parameters are identified.
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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 | 0.001 | 0.005 |
| Meta-epidemiology (narrow) | 0.001 | 0.001 |
| Meta-epidemiology (broad) | 0.001 | 0.001 |
| Bibliometrics | 0.001 | 0.000 |
| Science and technology studies | 0.000 | 0.001 |
| Scholarly communication | 0.001 | 0.001 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.001 | 0.002 |
| Insufficient payload (model declined to judge) | 0.004 | 0.002 |
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".