Theoretical investigation on structural properties of ethylene clusters (C2H4)n (n ⩽ 25)

Geometries of ethylene clusters (C2H4)n in the range of n ⩽ 25 are optimized with the intermolecular potential based on the ab initio calculations of the dimer. The heuristic method combined with geometrical perturbations is used for geometry optimization. Ethylene clusters do not take the icosahedral motif characteristic of some van der Waals molecular clusters. The structural evolution of ethylene clusters is complicated in contrast with that of acetylene clusters. The anisotropy of intermolecular potential is considered to be an important factor determining the structures of ethylene clusters.