The low-lying electronic states of Ar2F

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Abstract
Ab initio POL‐CI calculations are reported on the six lowest states of the Ar2F molecule for isosceles triangle (C2v) 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.