Metastability of the Three-Dimensional Carbon Cluster Prismane C$_8$

Details Metastability of the Three-Dimensional Carbon Cluster Prismane C$_8$ Metastability of the Three-Dimensional Carbon Cluster Prismane C$_8$

2001-04-19

arxiv.org/abs/physics/0104058v1

Phys. Low-Dim. Struct. 11/12 (2000) 91

Physics

Atomic and Molecular Clusters

7 figures

Scientific paper

Stability of recently predicted cage-like carbon cluster C$_8$ (prismane) against its transformations to structures lying at lower energies is studied theoretically. The smallest energy barrier inhibiting prismane transformation is shown to be 0.44 eV, in qualitative agreement with the value of activation energy for prismane decay calculated by molecular dynamics simulations. A rather high value of the barrier suggests the possibility of experimental observation of this cluster at ambient pressure.

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