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 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 | 0.001 |
| 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 itClassification
machine, unvalidatedMachine predicted; a candidate call from one teacher head, 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".