Fragmentation of neutral C_n clusters (n ≤ 9): experimental and theoretical investigations

Abstract.

We report on experimental and theoretical efforts designed to understand the fragmentation of small carbon clusters. Experimentally, a new detection system for high velocity fragments has been recently developed allowing the fragmentation of high velocity clusters to be totally recorded [1]. Results for the branching ratios of deexcitation of C₅ and C₉ formed by electron capture in high velocity ${\rm{C}}_5^ + ,\;{\rm{C}}_9^ + + {\rm{He}}$collisions are presented. Theoretically, the dissociation dynamics of C₅ has been investigated using a kinematical model based on the statistical theory of Weisskopf. In this model various structural quantities (geometries, dissociation energies, harmonic frequencies), are required for both the parent cluster and the fragments. They have been calculated within DFT and coupled-cluster formalisms for C_n up to n = 9. In all cases, a strong correlation between measured branching ratios and calculated dissociation energies is observed.