Vacuum pyrolysis of <i>N</i>,<i>N</i>-dimethyl bicyclo[3.2.0]hepta-3,6-dien-1-amine He I ultraviolet photoelectron spectroscopic and computational studies
Bibliographic record
Abstract
The photoelectron spectra of N,N-dimethylbicyclo[3.2.0]hepta-3,6-dien-1-amine (1) and its pyrolysate were obtained using an unique ultraviolet (UV) photoelectron (PE) spectrometer interfaced with a CW CO2 laser. Pyrolysis of 1 in the source chamber of the PE spectrometer initially generates the transient N,N-dimethylcyclohepta-1E,3Z,5Z-trien-1-amine (2) the computed barrier is 21.5 kcal mol1 that isomerizes to the all-cis isomer with a barrier of only 5.0 kcal mol1. There is no evidence for the formation of N,N-dimethycyclohepta-1Z,3E,5Z-trien-1-amine (4), formation of which has an zero-point-energy corrected barrier of 28.4 kcal mol-1. A PE spectrum of an authentic sample of N,N-dimethylcyclohepta-1Z,3Z,5Z-trien-1-amine (3) correlated well with the pyrolysis spectrum. Molecular orbitals and their energies were obtained with Becke3LYP calculations.Key words: vacuum pyrolysis, N,N-dimethylbicyclo[3.2.0]hepta-3,6-dien-1-amine, photoelectron spectroscopy, DFT calculations.
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 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) | 0.002 | 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".