화학공학소재연구정보센터
Journal of Chemical Physics, Vol.101, No.4, 2871-2879, 1994
A Combined Experimental and Theoretical-Study of the Neutral, Cationic, and Anionic Si3N Cluster-Molecule
Collision experiments and high-level ab initio calculations are used for the first 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 SinN (n=1-3) have been calculated for the cationic, anionic, and neutral species.