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Boron Cluster Cations: Transition from Planar to Cylindrical Structures


  • This research was supported by the Deutsche Forschungsgemeinschaft. We thank L.-S. Wang for introducing us to this issue and for helpful comments on Bx cluster ion sources.


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Above a certain size, boron clusters prefer a cylindrical arrangement over a planar one. Experimental determination of the collision cross section combined with density functional calculations showed that the transition to cylindrical structures takes place at B16+ for boron clusters. The picture shows some of the investigated structures. The left column represents the global minima; the other columns show less favorable structures.