High resolution molecular beam study of the origin bands of the à 2Π–X 2Σ+ and Ã″ 2Π1/2–X 2Σ+ systems of yttrium imide (Y14NH, Y15NH, and Y14ND)
Bibliographic record
Abstract
The (0,0,0)–(0,0,0) bands of the à 2Π–X̃ 2Σ+ and Ã″ 2Π1/2–X̃ 2Σ+ systems of three isotopomers of yttrium imide (Y14NH, Y15NH, and Y14ND) have been studied by laser-induced fluorescence in a molecular beam apparatus. Rotational, fine, and nuclear magnetic hyperfine structures have been resolved and analyzed. The previously studied B̃ 2Σ+−X̃ 2Σ+ (0,0,0)–(0,0,0) bands of the three isotopomers have been reanalyzed. Global fits of all observed bands, in which the ground state has been fitted to a Hamiltonian model, while the excited states have been represented by term values, have been performed for the three isotopomers. Subsequently, the individual bands have been fitted. The ground state parameters have been fixed at the values obtained in the global fits, while the upper states have been fitted to the Hamiltonian models. The (0,0,0) à 2Π state of Y14NH, Y15NH, and Y14ND is severely perturbed. Even though the nature of these perturbing states can only be speculated upon, the introduction of effective perturbers made it possible to deperturb the state successfully. The Ã″ 2Π1/2 state is unperturbed. The spectra can be reproduced to better than 120 MHz (0.004 cm−1). The analyses confirm that the molecule is linear in all four states with the nuclear arrangement Y–N–H. The bond lengths (r0 structure) in the X̃ 2Σ+ ground state and the Ã″ 2Π1/2, à 2Π, and B̃ 2Σ+ excited states have been derived to be rYN=0.187785(17) nm, rNH=0.10039(14) nm; rYN=0.1927(1) nm, rNH=0.081(1) nm; rYN=0.19013(56) nm, rNH=0.1032(54) nm; and rYN=0.18848(52) nm, rNH=0.1236(46) nm, respectively. The electronic configurations for the X̃ 2Σ+ ground state and the à 2Π, Ã″ 2Π1/2, and B̃ 2Σ+ excited states are discussed and compared with ab initio calculations whenever possible.
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) | 0.001 | 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 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".