Prismane C_8: A New Form of Carbon?

Details Prismane C_8: A New Form of Carbon? Prismane C_8: A New Form of Carbon?

1998-11-13

arxiv.org/abs/physics/9811023v1

Pis'ma v ZhETF, Vol.68 (1998) pp.695-699 [JETP Lett. 68 (1998) 726-731]

Physics

Atomic and Molecular Clusters

5 pages (revtex), 3 figures (eps)

Scientific paper

10.1134/1.567936

Our numerical calculations on small carbon clusters point to the existence of a metastable three-dimensional eight-atom cluster C$_8$ which has a shape of a six-atom triangular prism with two excess atoms above and below its bases. We gave this cluster the name "prismane". The binding energy of the prismane equals to 5.1 eV/atom, i.e., is 0.45 eV/atom lower than the binding energy of the stable one-dimensional eight-atom cluster and 2.3 eV/atom lower than the binding energy of the bulk graphite or diamond. Molecular dynamics simulations give evidence for a rather high stability of the prismane, the activation energy for a prismane decay being about 0.8 eV. The prismane lifetime increases rapidly as the temperature decreases indicating a possibility of experimental observation of this cluster.

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