Synthesis of protonated ferrocene isomers in the gas phase and their study by mass spectrometry
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Bibliographic record
Abstract
Gas phase protonation of ferrocene has been studied experimentally in four different reaction systems, using high energy Collision Induced Decomposition mass spectrometry to follow the progress of reaction at different temperatures and pressures. Experimental evidence is obtained for the existence of three stable isomers as predicted theoretically. The most stable form is shown to be most probably metal-protonated, but the energies of the metal-protonated and agostic forms are within 10 kJ mol -1 of each other. The ring-protonated isomer is higher in energy by 62 kJ mol -1 . Intramolecular isomerization could not be detected, indicating relatively high energy or entropy barriers separating the isomers. The intermediate complex formed by exo attack of t-C4H9 + on ferrocene was also studied and observed to change structure, from a to a -complex, leading to the population of different protonated isomers of ferrocene, depending on the temperature.
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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 | 0.000 | 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 it