The structures and energies of SiHn2+ dications (n= 1–5)

Abstract

The structure and energies of SiH_n²⁺ dications (n= 1–5) are reported and compared with the corresponding monocations and the CH_n²⁺ series; in contrast to CH²⁺˙, SiH²⁺˙, is predicted to be a strongly bound species; also SiH₂²⁺ is predicted to be a kinetically stable species, whereas SiH₃²⁺˙, SiH₄²⁺, and SiH₅²⁺˙ are weakly bound complexes of SiH₂²⁺ with atomic and/or molecular hydrogen.