Terahertz and far-infrared synchrotron spectroscopy and global modeling of methyl mercaptan, CH332SH
Why this work is in the frame
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Bibliographic record
Abstract
In this work, terahertz and Fourier transform far-infrared (FTFIR) synchrotron spectra of methyl mercaptan, CH(3)SH, have been investigated in order to provide new laboratory information for enhanced observations of this species in interstellar molecular clouds and star-forming regions. Like its methanol cousin, methyl mercaptan has particularly rich spectra associated with its large-amplitude internal rotation that extend throughout the THz and FIR regions. We have recorded new spectra for CH(3)SH from 1.1-1.5 and 1.790-1.808 THz at the University of Cologne as well as high-resolution FTFIR synchrotron spectra from 50-550 cm(-1) at 0.001 cm(-1) resolution on the far-IR beam-line at the Canadian Light Source. Assignments are reported for rotational quantum numbers up to J ≈ 40 and K ≈ 15, and torsional states up to v(t) = 2 for the THz measurements and v(t) = 3 for the FTFIR observations. The THz and FTFIR measurements together with literature results have been combined in a global analysis of a dataset comprising a total of 1725 microwave and THz frequencies together with ~18000 FTFIR transitions, ranging up to v(t) = 2 and J(max) = 30 for MW∕THz and 40 for FTFIR. The global fit employs 78 torsion-rotation parameters and has achieved a weighted standard deviation of ~1.1. A prediction list (v(t) ≤ 2, J ≤ 45 and K ≤ 20) has been generated from the model giving essentially complete coverage of observable CH(3)(32)SH transitions within the bandwidths of major new astronomical facilities such as HIFI (Heterodyne Instrument for the Far Infrared) on the Herschel Space Observatory, ALMA (Atacama Large Millimeter Array), SOFIA (Stratospheric Observatory For Infrared Astronomy) and APEX (Atacama Pathfinder Experiment) to close to spectroscopic accuracy.
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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) | 0.000 | 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