On the Anharmonic XCN Bending Modes of the Quasilinear Molecules BrCNO and ClCNO
Bibliographic record
Abstract
The millimeter-wave spectra of the unstable halofulminates BrCNO and ClCNO were recorded at room temperature in several frequency intervals between 52 and 230 GHz. Besides rotational transitions in the vibrational ground state, transitions in numerous thermally excited states of the XCN bending mode (X = Br or Cl) could be observed. The irregular sequence of these satellites indicated that in both molecules, the XCN bending mode is highly anharmonic. Indeed, the XCNO molecules exhibit truly quasilinear behavior. From semirigid bender analyses of the rotational data, the effective potential functions and their barriers to linearity were determined. The barrier heights were found to be 130.82 (56) cm -1 for BrCNO and 166.86 (84) cm -1 for ClCNO, resulting in quasilinearity parameters γ 0 of +0.362 and +0.416, respectively.
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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) | 0.002 | 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".