Estimating the Wavenumber of Terminal Metal-Hydride Stretching Vibrations of Octahedral d<sup>6</sup> Transition Metal Complexes
Bibliographic record
Abstract
The wavenumbers of 774 terminal hydride infrared active stretching modes of 478 distinct classes of structures of d6 octahedral complexes of Mn(I), Re(I), Fe(II), Ru(II), Os(II), Co(III), Rh(III), Ir(III), and Pt(IV) were collected from the literature. A fair correlation (R2 0.95 with standard deviation 31 cm–1) is found for the data with the equation νMHcalc = ν0 + Δνt + Δνn, where ν0 is the base wavenumber for the metal ion in question, Δνt is the parameter of influence of the ligand trans to the hydride, and Δνn is a correction for the charge of the complex [MHL5]n+. The introduction of a cis influence parameter has little effect on the correlation, showing that the trans influence dominates in this case. The equation is useful in identifying anomalous data reported in the literature, validating future assignments of νMH, understanding better metal-hydride bonding, and possibly assisting in identifying superior hydride-based catalysts.
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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".