The Huggins band of ozone:Unambiguous electronic and vibrational assignment

摘要

The Huggins band of ozone is investigated by means of exact dynamics calculations using a new(diabatic)potential energy surface for the ~1B_2 state.The remarkable agreement with the measured spectrum strongly suggests that the Huggins band is due to the two C_s potential wells of the ~1B_2 state.The vibrational assignment,based on the nodal structure of wave functions,supports the most recent experimental assignment.