DFT calculations of the molecular structures and vibrational spectra of dimethylzinc and dimethylcadmium complexes with bidentate nitrogen ligands
Bibliographic record
Abstract
The structures and vibrational spectra of dimethylzinc and dimethylcadmium complexes with o-phenanthroline (PHEN), 2,2′-bipyridine (BIPY), and tetramethylethylenediamine (TMED) have been calculated by DFT methods. The unexpected deviations in the dihedral angles between the plane of the o-phenanthroline ligand and the planes of the dimethyl-metal groups are due to low wavenumber twisting vibrations and the previously unknown locations of the metal–nitrogen stretching motions have been established. The results indicate that the ligands are not strongly bound, suggesting that the complexes may indeed be useful nontoxic precursors to Me 2 Zn and Me 2 Cd for use in the electronics industry.
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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) | 0.000 | 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".