Electronic spectrum of D2O+

Abstract

An analysis of 15 bands of the [Formula: see text] system of D2O+ is given. All assigned lines are tabulated. The rotational structures of the [Formula: see text], 1, and 3 levels of the ground state are fitted to the Watson asymmetric rotor Hamiltonian with added spin-rotation terms. For the upper state, the rotational structures of various substates are expressed: for [Formula: see text], in terms of a simple formula for linear molecules; and for [Formula: see text], 2, and 3, in terms of a modified Hill – Van Vleck formula given by Jungen, Hallin, and Merer. From the rotational constants of the ground state, term values are calculated and a small portion of a Type-B infrared band is derived. Some predicted microwave lines are also given. The bond length and bond angle of the molecule in the ground state (ν = 0) are r0 = 0.9987 ± 0.0002 Å and θ0 = 110.17 ± 0.02 deg.