Relationship between Transition-Metal Hydride Bond Lengths and Stretching Wavenumbers
Bibliographic record
Abstract
Here it is demonstrated that there is a linear relationship between the terminal 3d metal hydride stretching wavenumber ν MH and the metal hydride distance d MH reported to date: ν MH ∼ (−1.05 d MH + 3.35) × 10 3 cm –1 . That is, upon moving from Group 3 to Group 10 metals in complexes and binary molecules, ν MH (cm –1 ) increases as the metal–hydrogen distance d MH (Å) decreases as determined by X-ray diffraction, molecular spectroscopy, and, in one case, neutron diffraction. This trend contrasts with the relatively constant bond dissociation free energy (BDFE) of the diamagnetic complexes and the usually smaller BDFE (by as much as −20 kcal/mol) of paramagnetic ones, thus showing that there is no correlation between either ν MH or its force constant with the BDFE. If a positive charge is added to the complex by metal-ion oxidation, ν MH may increase or decrease depending on the coordination number and spin state of the complex.
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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 | 0.000 |
| 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 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".