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1Fix the driver behind crashes, sound loss and screen glitches2Repair Windows errors before they cause bigger problems3Scan for outdated or missing drivers - takes under a minuteResearchers have computationally predicted a family of positively charged silicon clusters in which one silicon atom sits at the center of six contacts in a perfectly planar structure. The predicted clusters, SiSb3M3+ (M = Ca, Sr or Ba), are theoretical candidates—not experimentally confirmed materials.
What the predicted clusters look like
In the 2022 study, each cluster contains one silicon atom, three antimony atoms and three alkaline-earth metal atoms: calcium, strontium or barium. The calculated global-minimum structure places silicon in a planar arrangement with six surrounding contacts. The authors identify its symmetry as D3h and its electronic state as 1A1′. The formula describes a small molecular cluster, not a bulk form of silicon. The open-access Chemical Science paper reports the prediction.
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Why the six contacts may be stabilizing
The proposed stability comes from the combined bonding contributions of the antimony and metal atoms. The study describes Si–Sb interactions as significantly stronger than Si–M interactions, but the metal contacts still contribute to the cluster’s stability through both electrostatic and covalent attraction. The authors say heavier alkaline-earth atoms can draw on vacant d atomic orbitals in bonding, helping stabilize the outer ring and contribute to covalent interaction with silicon.
The paper reports Si–M stabilization energies of −27.4 to −35.4 kcal mol−1 across the studied clusters. That is an aggregate range; the abstract does not assign either endpoint to calcium, strontium or barium. The Royal Society of Chemistry article page provides the reported range, but its abstract does not establish the detailed computational protocol or uncertainty behind it.
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How these differ from lighter-element analogues
The authors contrast the predicted clusters with related SiE3M3+ structures, where E is nitrogen, phosphorus or arsenic and M is calcium, strontium or barium. Those lighter-element analogues can also have D3h global minima, but the abstract says electrostatic repulsion outweighs covalent attraction in their Si–M contacts. In the antimony-containing clusters, by contrast, the Si–M interactions are described as stabilizing.
What ligand protection changes—and what it does not
The study also predicts ligand-protected forms using six N-heterocyclic carbene ligands or six benzene ligands, written SiSb3M3(NHC)6+ and SiSb3M3(Bz)6+. According to the paper’s abstract, these protected clusters retain the predicted planarity and attractive character of all six silicon contacts. The result suggests possible routes for stabilizing the structures, but it does not demonstrate that either protected form has been made.
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Prediction is not experimental confirmation
The calculations identify candidates for future work: the authors propose bare clusters for gas-phase detection and ligand-protected clusters as candidates for large-scale synthesis. These are proposed experimental directions, not reported achievements. Chemistry World’s account on 1 July 2022 said that no planar hexacoordinate silicon clusters had then been experimentally reported; that dated statement should not be taken as a verified account of experimental status in 2026. Chemistry World’s 2022 report provides accessible context.
What remains to be established
The published abstract supports the predicted geometry, broad bonding explanation and aggregate Si–M stabilization range. It does not provide enough detail to compare calcium, strontium and barium individually, assess kinetic barriers or evaluate the computational methods and uncertainties. Those questions require the full article and supporting information. Above all, a calculated global minimum is not by itself proof that a cluster can be produced, isolated or persist under experimental conditions.
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