The Huggins bands of ozone

Abstract
The vibrational analysis of the Huggins band system of O3 is reexamined and the electronic transition identified as 1A11A1 on the basis that 1–0 and 0–1 transitions in ν3 are widely distributed in the spectrum. Franck–Condon analysis indicates that the 2lA1 state has r = 1.360 Å, θ = 102.4°, corresponding to a longer bond and sharper angle than the ground state structure (r0 = 1.279 Å, θ0 = 116.8°). Estimates of the upper state decay time (2 × 10−13 s) and the f-value of the transition from the ground state (~ 1 × 10−4) are presented. The upper state potential well is considered to result from the avoided crossing of the X1A1(4π) and 21A1(6π) diabatic surfaces.