The low-lying electronic states of Ar2F

Abstract

Ab initio POL‐CI calculations are reported on the six lowest states of the Ar₂F molecule for isosceles triangle (C_2v) and linear Ar‐Ar‐F geometries. In the triangular configuration, the lowest Ar₂⁺F⁻ ionic state (2 ²B₂) is bound by 5.0 eV relative to Ar₂⁺ (²Σ⁺_u)+F⁻ and by 0.6 eV relative to Ar⁺F⁻ (2 ²Σ⁺)+Ar. Emissions from this state to the repulsive states (1 ²A₁ and 1 ²B₂) dissociating to Ar+Ar+F are predicted at 268 and 274 nm with a combined lifetime of 128 nsec.