Collective interactions among organometallics are exotic bonds hidden on lab shelves
Bibliographic record
Abstract
Abstract Recent discovery of an unusual bond between Na and B in NaBH 3 − motivated us to look for potentially similar bonds, which remained unnoticed among systems isoelectronic with NaBH 3 − . Here, we report a novel family of collective interactions and a measure called exchange-correlation interaction collectivity index (ICI XC ; $${ICI}\in \left[{{{{\mathrm{0,1}}}}}\right]$$ <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mi>I</mml:mi> <mml:mi>C</mml:mi> <mml:mi>I</mml:mi> <mml:mo>∈</mml:mo> <mml:mfenced> <mml:mrow> <mml:mi>0, 1</mml:mi> </mml:mrow> </mml:mfenced> </mml:math> ) to characterize the extent of collective versus pairwise bonding. Unlike conventional bonds in which ICI XC remains close to one, in collective interactions ICI XC may approach zero. We show that collective interactions are commonplace among widely used organometallics, as well as among boron and aluminum complexes with the general formula [M a+ AR 3 ] b− (A: C, B or Al). In these species, the metal atom interacts more efficiently with the substituents (R) on the central atoms than the central atoms (A) upon forming efficient collective interactions. Furthermore, collective interactions were also found among fluorine atoms of XF n systems (X: B or C). Some of organolithium and organomagnesium species have the lowest ICI XC among the more than 100 studied systems revealing the fact that collective interactions are rather a rule than an exception among organometallic species.
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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 | 0.001 |
| Science and technology studies | 0.001 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.001 |
| Research integrity | 0.000 | 0.002 |
| 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".