Structural and spectroscopic trends in the ground states of the monohalosilylenes: Emission spectroscopy of jet-cooled HSiI and DSiI
Bibliographic record
Abstract
Single vibronic level emission spectra of jet-cooled HSiI and DSiI have been recorded by laser excitation of selected bands of the Ã1A″–X̃1A′ electronic transition. The data have been used to derive the ground state harmonic frequencies and anharmonicities for both isotopomers. A normal coordinate analysis of the harmonic frequencies yielded reliable values for five of the six force constants. Using previously determined ground state rotational constants and the force field data, average (rz) and approximate equilibrium (rez) structures were calculated, with rez(SiH)=1.5151(2) Å, rez(SiI)=2.4610(1) Å, and θez(HSiI)=92.5(1)°. A comparison of trends in the structural parameters and vibrational frequencies of the monohalosilylenes shows that the bond angle increases significantly and the Si–H bond length decreases slightly with heavier halogen substitution. These trends have been rationalized based on the inductive effect and the electronegativity of the halogen substituent.
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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".