The excited electronic states and the ionization potential of the AlND3 complex
Bibliographic record
Abstract
The AlND3 complex was studied in a molecular beam by resonant one-color two-photon and two-color two-photon photoionization techniques with a resolution of 0.3 cm−1. Six progressions of bands were observed in the 18 100–26 200 cm−1 (381–552 nm) region. One progression (ωe=316±0.8 cm−1) was assigned to the Al–ND3 stretch (ν3′) in the B̃2A1 state correlating with the 3s 2S term of Al. The origin of the B̃2A1–X̃2E1/2 system was found at 18 532.5±0.7 cm−1. The second (ωe=428±2 cm−1) and third (ωe=594±12 cm−1) progressions were assigned to the Al–ND3 stretch (ν3′) and the bend (ν6′) in the C̃2E state correlating with the 3d 2D term of Al. The origin of the C̃2E–X̃2E1/2 system was found at 21 185±5 cm−1. Assignments of the other three progressions with origins and harmonic wave numbers of 22 667±2 and 358±2 cm−1; 24 382±10 and 432±10 cm−1; and ∼21 871 and ∼1050 cm−1 remain uncertain. The spin-orbit splitting of the X̃2E ground state was determined to be 55.8±0.7 cm−1. Several Rydberg series converging to the v3+=1, 2, and 3 levels of the ground state of the AlND3+ ion were observed. The ionization potential of the AlND3 complex was measured to be 39 710±2 cm−1. The ν3+ fundamental in the ground state of the AlND3+ ion was found to be 325±5 cm−1. To aid the interpretation of our spectra, ab initio optimized structures and vibrational wave numbers for the ground states of various isotopomers of AlNH3 and AlNH3+ were calculated. Also, Al–NH3 potential curves for several low-lying excited states were calculated. In addition, the ionization potential of the AlNH3 isotopomer was measured by the one-photon photoionization efficiency technique. The value of 39 760±10 cm−1 is an improvement on that previously reported by Di Palma et al. [Chem. Phys. Lett. 284, 184 (1998)], which was 180 cm−1 smaller.
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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 | 0.001 | 0.001 |
| Scholarly communication | 0.001 | 0.000 |
| Open science | 0.001 | 0.001 |
| Research integrity | 0.000 | 0.001 |
| Insufficient payload (model declined to judge) | 0.004 | 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".