The tipping point of the inert pair effect: experimental and computational comparison of In(<scp>i</scp>) and Sn(<scp>ii</scp>) bis(imino)pyridine complexes
Bibliographic record
Abstract
The autoionization reaction of neutral bis(imino)pyridine and SnX2 led to three compounds [{ArN[double bond, length as m-dash]CPh}2(NC5H3)]SnX(+)SnX3(-) (Ar = 2,6-(2,5-(t)Bu2C6H3), X = Cl, Br; Ar = 2,6-(2,6-Me2C6H3), X = Cl) which display, within the same species, cations and anions possessing Sn(ii) centers. Computational analysis compared the ligated Sn(ii) cations with bis(imino)pyridine In(i) complexes that showed unprecedented weak metal-ligand covalent interactions, consistent with the In(i) 5s(2) electrons remaining as an inert nonbonding pair. Analysis of the metal-ligand bonding indicates that the chloride ligand of the Sn(ii) complex induces promotion of the metal 5s(2) electron pair to a stereochemically active hybridized orbital, which, in turn, allows strong coordination of the bis(imino)pyridine to Sn.
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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".