The near infrared <sup>2</sup>Π<sub>3/2</sub>(a<sub><i>β</i><i>J</i></sub>) ¬ X <sup>2</sup>Σ<sup>+</sup>(b<sub><i>β</i><i>S</i></sub>) band systems of TiCo and ZrCo
Bibliographic record
Abstract
Resonant two-photon ionization spectroscopy has been used to provide the first rotationally resolved work involving multiply-bonded mixed earlylate transition metal dimers. The mixed metal dimers TiCo and ZrCo are shown to possess 2Σ+ ground states, in agreement with a previous matrix isolation ESR (electron spin resonance) study on TiCo. Two previously observed vibronic bands in ZrCo are rotationally resolved, as is one of several newly discovered vibronic transitions in TiCo. Ground-state rotational constants for 48Ti59Co and 90Zr59Co are measured to be B''0 = 0.186 15(8) cm1 and B''0 = 0.119 78(5) cm1, giving r''0 = 1.8508(4) and r''0 = 1.9883(4) Å, respectively. In both molecules the ground state conforms to the Hund's case (bβ S) coupling scheme, with Fermi contact interactions between the unpaired σ electron and the 59Co (I = 7/2) nucleus of b''F = 0.0468(7) cm1 for 48Ti59Co and b''F = 0.0549(6) cm1 for 90Zr59Co. These values indicate that the unpaired electron occupies a σ orbital having 32% and 37% Co 4s character in TiCo and ZrCo, respectively. All three of the rotationally resolved bands are 2Π3/2 ¬ X2Σ+ transitions. For 90Zr59Co the 0 ¬ 0 and 1 ¬ 0 bands were resolved at ν0 = 10 496.1452(28) and 10 884.3794(25) cm1, giving B'0 = 0.119 82(6) and B'1 = 0.121 44(5) cm1. For 48Ti59Co the rotationally resolved band has ν0 = 9873.8342(19) cm1 and B' = 0.191 07(6) cm1. These results are discussed in the context of prior work on these and related molecules. PACS No.: 33.20Eq
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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) | 0.006 | 0.001 |
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".