The Synchrotron-based Far-infrared Spectrum of Propargylamine
Bibliographic record
Abstract
Abstract Propargylamine (HC≡C–CH 2 –NH 2 ), with a triple bond and an amine group, is a nitrogen-bearing organic molecule of astrochemical interest due to its potential role as a precursor to aminoacetonitrile and other complex organic molecules in the interstellar medium (ISM). Despite the detection of the structurally related molecules propargylimine (HC≡C–CH=NH) and aminoacetonitrile (NH 2 –CH 2 –CN) in the ISM, it remains undetected. This work presents the first high-resolution far-infrared spectroscopic study of propargylamine, conducted using a synchrotron-based Fourier transform infrared spectrometer at the Canadian Light Source. The rotationally resolved vibrational spectra were measured in the range of 50–480 cm −1 , targeting its three lowest vibrational modes. The rovibrational analysis led to the assignment of two bands centered at 338.8342332(25) and 228.5012023(26) cm −1 , corresponding to the out-of-plane HC≡C–C linear bending ( ν 20 ) and –NH 2 torsion ( ν 21 ) modes, respectively. Also, a band origin of 199.10535(19) cm −1 was determined for the in-plane HC≡C–C linear bending ( ν 13 ) mode through a Coriolis-type resonance with the ν 21 mode. The accurate assignment clears up a discrepancy over these vibrational energy levels between previous millimeter-wave and low-resolution infrared studies and made possible the determination of an updated rovibrational partition function. These data provide spectroscopic parameters for future astronomical searches in the ISM.
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How this classification was reachedexpand
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 | 0.001 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.001 |
| 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 teacher head, 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".