Theoretical studies on low-lying electronic states of the CCl+, SiCl+, and GeCl+ ions

Abstract

Potential energy curves for the ground state X ¹Σ⁺ and low‐lying A ¹Π and a ³Π states of the CCl⁺, SiCl⁺, and GeCl⁺ ions have been calculated by ab initio LCAO–SCF–MO configuration interaction method. Calculated molecular constants T_e, ω_e, and ω_ex_e agree well with available experimental data. The assignments of A ¹Π–X ¹Σ⁺ and a ³Π–X ¹Σ⁺ bands for CCl⁺ and a ³Π–X ¹Σ⁺ band for SiCl⁺ have been confirmed.