Combined Experimental and Theoretical Study of the Neutral, Cationic and AnionicSi3N Cluster Molecule

摘要

Collision experiments and high-level ab initio calculations are used for thefirst characterization of the neutral, cationic and anionic Si3N cluster molecules. The experimentally observed fragmentation processes are well described by calculated reaction energies of all dissociation channels. In addition, the geometries and harmonic frequencies of SiN (n=1-3) have been calculated for the cationic, anionic and neutral species.