An EPR Study of the C−O Bond Activation of 1,2-Epoxybutane by Ground-State Al Atoms
Bibliographic record
Abstract
Group 13 metal atoms react with ethers under matrix isolation conditions to give a number of interesting products. This work has been extended to include the reaction of Al atoms with 1,2-epoxybutane (CH(3)CH(2)H(2)) and its isotopomers, 1,2-epoxybutane-1,1-d(2) (CH(3)CH(2)D(2)) and 1,2-epoxybutane-2-d(1) (CH(3)CH(2)H(2)). The paramagnetic species generated in the reaction have been studied by electron paramagnetic resonance (EPR) spectroscopy. Two divalent Al insertion products were spontaneously formed. Species A, with the magnetic parameters a(Al) = 855 MHz, a(H)(1) = 28.8 MHz, a(H)(2) = 13.6 MHz, and g = 2.0014, is the C(1)-O insertion radical CH(3)CH(2). Species B, thought to result from the insertion of Al atoms into the C(2)-O bond, CH(3)CH(2), has the magnetic parameters g = 2.0003, a(Al) = 739 MHz, a(H)(1) = 15.1 MHz, a(H)(2) = 18.5 MHz, and a(H)(1) = 37.8 MHz. Support for these assignments was obtained by comparing the experimental values of the Al and H hyperfine interaction (hfi) with those calculated using a DFT method. At temperatures < 150 K, there is evidence for the formation of the alkyl radical CH(3)CH(2)CH(O(-))CH(2)* due to ring opening at the C(1)-O bond, while at higher temperatures a radical with magnetic parameters similar to those reported for 1-methallyl was detected.
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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".