Structure and dynamic properties of neutral and ionized SiH5 and Si2H3

The equilibrium structures and dynamical properties of neutral and ionized SiH5 and Si2H3 have been studied using the ab initio molecular dynamics method. The obtained equilibrium structures are in good agreement with other highly precise methods. In SiH5+, we have clearly observed that H2 rotates about the C3 axis. In Si2H3+, we have found that H atoms can interchange positions frequently and also the structure changes. The different dynamical behaviors of the SiH and CH molecules has been addressed.