A study of the structure and dynamics of the hydronium ion by high-resolution infrared laser spectroscopy. I. The ν3 band of H3 16O+

Abstract

The results of an extensive study of the ν3 (asymmetric stretch) vibration of the H3O+ ion are reported. A total of 86 and 41 transitions were measured with a precision of 0.002 cm−1 for the s–s and a–a inversion subbands, respectively, and least-squares fit to an accurate Hamiltonian. Twenty-four parameters were determined in the analysis. The ν3 frequencies are 3535.974(11) and 3519.397(25) cm−1 for the s–s and a–a inversion components, respectively.